[4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid

C147H144F2N10O29 — CID 91260836

IUPAC[4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid
SMILESCCN(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC(F)F)cc1.COC(=O)N(CC(C)=O)Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1.Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)cc1.Cc1cccc(COC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C35H32N2O7.C30H30N2O6.C29H28F2N2O5.C29H28N2O6.C24H26N2O5/c1-25-32(36-34(43-25)28-12-6-3-7-13-28)19-20-41-31-14-8-11-27(21-31)22-37(23-33(38)39)35(40)44-30-17-15-29(16-18-30)42-24-26-9-4-2-5-10-26;1-21-8-6-10-24(16-21)20-37-30(35)32(19-28(33)34)18-23-9-7-13-26(17-23)36-15-14-27-22(2)38-29(31-27)25-11-4-3-5-12-25;1-3-33(29(34)38-25-15-13-24(14-16-25)37-28(30)31)19-21-9-11-23(12-10-21)35-18-17-26-20(2)36-27(32-26)22-7-5-4-6-8-22;1-20-11-13-24(14-12-20)37-29(34)31(19-27(32)33)18-22-7-6-10-25(17-22)35-16-15-26-21(2)36-28(30-26)23-8-4-3-5-9-23;1-17(27)15-26(24(28)29-3)16-19-8-7-11-21(14-19)30-13-12-22-18(2)31-23(25-22)20-9-5-4-6-10-20/h2-18,21H,19-20,22-24H2,1H3,(H,38,39);3-13,16-17H,14-15,18-20H2,1-2H3,(H,33,34);4-16,28H,3,17-19H2,1-2H3;3-14,17H,15-16,18-19H2,1-2H3,(H,32,33);4-11,14H,12-13,15-16H2,1-3H3
InChIKeyNVHAKJYOCZHQBI-UHFFFAOYSA-N
MW2552.81 g/mol
LogP29.73
Rot. Bonds54

About [4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid

[4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid (PubChem CID 91260836) has the molecular formula C147H144F2N10O29 and a molecular weight of 2552.81 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid
PubChem CID91260836
Molecular FormulaC147H144F2N10O29
Molecular Weight2552.81 g/mol
Exact Mass2551.01
IUPAC Name[4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid
SMILESCCN(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC(F)F)cc1.COC(=O)N(CC(C)=O)Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1.Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)cc1.Cc1cccc(COC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C35H32N2O7.C30H30N2O6.C29H28F2N2O5.C29H28N2O6.C24H26N2O5/c1-25-32(36-34(43-25)28-12-6-3-7-13-28)19-20-41-31-14-8-11-27(21-31)22-37(23-33(38)39)35(40)44-30-17-15-29(16-18-30)42-24-26-9-4-2-5-10-26;1-21-8-6-10-24(16-21)20-37-30(35)32(19-28(33)34)18-23-9-7-13-26(17-23)36-15-14-27-22(2)38-29(31-27)25-11-4-3-5-12-25;1-3-33(29(34)38-25-15-13-24(14-16-25)37-28(30)31)19-21-9-11-23(12-10-21)35-18-17-26-20(2)36-27(32-26)22-7-5-4-6-8-22;1-20-11-13-24(14-12-20)37-29(34)31(19-27(32)33)18-22-7-6-10-25(17-22)35-16-15-26-21(2)36-28(30-26)23-8-4-3-5-9-23;1-17(27)15-26(24(28)29-3)16-19-8-7-11-21(14-19)30-13-12-22-18(2)31-23(25-22)20-9-5-4-6-10-20/h2-18,21H,19-20,22-24H2,1H3,(H,38,39);3-13,16-17H,14-15,18-20H2,1-2H3,(H,33,34);4-16,28H,3,17-19H2,1-2H3;3-14,17H,15-16,18-19H2,1-2H3,(H,32,33);4-11,14H,12-13,15-16H2,1-3H3
InChIKeyNVHAKJYOCZHQBI-UHFFFAOYSA-N
XLogP29.73
TPSA471.43 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds54
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002552.81
LogP ≤ 529.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze [4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid?
The IUPAC name of [4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid (CID 91260836) is [4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid.
What is the SMILES notation for [4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid?
The canonical SMILES for [4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid is CCN(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC(F)F)cc1.COC(=O)N(CC(C)=O)Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1.Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)cc1.Cc1cccc(COC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of [4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid?
The InChIKey is NVHAKJYOCZHQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O7.C30H30N2O6.C29H28F2N2O5.C29H28N2O6.C24H26N2O5/c1-25-32(36-34(43-25)28-12-6-3-7-13-28)19-20-41-31-14-8-11-27(21-31)22-37(23-33(38)39)35(40)44-30-17-15-29(16-18-30)42-24-26-9-4-2-5-10-26;1-21-8-6-10-24(16-21)20-37-30(35)32(19-28(33)34)18-23-9-7-13-26(17-23)36-15-14-27-22(2)38-29(31-27)25-11-4-3-5-12-25;1-3-33(29(34)38-25-15-13-24(14-16-25)37-28(30)31)19-21-9-11-23(12-10-21)35-18-17-26-20(2)36-27(32-26)22-7-5-4-6-8-22;1-20-11-13-24(14-12-20)37-29(34)31(19-27(32)33)18-22-7-6-10-25(17-22)35-16-15-26-21(2)36-28(30-26)23-8-4-3-5-9-23;1-17(27)15-26(24(28)29-3)16-19-8-7-11-21(14-19)30-13-12-22-18(2)31-23(25-22)20-9-5-4-6-10-20/h2-18,21H,19-20,22-24H2,1H3,(H,38,39);3-13,16-17H,14-15,18-20H2,1-2H3,(H,33,34);4-16,28H,3,17-19H2,1-2H3;3-14,17H,15-16,18-19H2,1-2H3,(H,32,33);4-11,14H,12-13,15-16H2,1-3H3.
What are the key properties of [4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid?
[4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid has a molecular weight of 2552.81 g/mol, XLogP of 29.73, 54 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;methyl N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-(2-oxopropyl)carbamate;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]acetic acid is sourced from PubChem (CID 91260836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).