N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide

C50H55FN4O8S2 — CID 90894882

IUPACN-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide
SMILESCCN(Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1)S(=O)(=O)Cc1ccc(F)cc1.CCN(Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1)S(C)(=O)=O
InChIInChI=1S/C28H29FN2O4S.C22H26N2O4S/c1-3-31(36(32,33)20-22-12-14-25(29)15-13-22)19-23-8-7-11-26(18-23)34-17-16-27-21(2)35-28(30-27)24-9-5-4-6-10-24;1-4-24(29(3,25)26)16-18-9-8-12-20(15-18)27-14-13-21-17(2)28-22(23-21)19-10-6-5-7-11-19/h4-15,18H,3,16-17,19-20H2,1-2H3;5-12,15H,4,13-14,16H2,1-3H3
InChIKeyACIHGCHWCKHAKT-UHFFFAOYSA-N
MW923.14 g/mol
LogP9.82
Rot. Bonds20

About N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide

N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide (PubChem CID 90894882) has the molecular formula C50H55FN4O8S2 and a molecular weight of 923.14 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide
PubChem CID90894882
Molecular FormulaC50H55FN4O8S2
Molecular Weight923.14 g/mol
Exact Mass922.34
IUPAC NameN-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide
SMILESCCN(Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1)S(=O)(=O)Cc1ccc(F)cc1.CCN(Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1)S(C)(=O)=O
InChIInChI=1S/C28H29FN2O4S.C22H26N2O4S/c1-3-31(36(32,33)20-22-12-14-25(29)15-13-22)19-23-8-7-11-26(18-23)34-17-16-27-21(2)35-28(30-27)24-9-5-4-6-10-24;1-4-24(29(3,25)26)16-18-9-8-12-20(15-18)27-14-13-21-17(2)28-22(23-21)19-10-6-5-7-11-19/h4-15,18H,3,16-17,19-20H2,1-2H3;5-12,15H,4,13-14,16H2,1-3H3
InChIKeyACIHGCHWCKHAKT-UHFFFAOYSA-N
XLogP9.82
TPSA145.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.14
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide with MolForge

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Related Compounds

ethane;2-[(4-fluorophenyl)methylsulfonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;phenylmethanesulfonyl chloride
CID 158222837
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
CID 22087557
2-[benzyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 16739272
ethyl 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate
CID 69361787
3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanal
CID 58977434
1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
CID 59067238
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid
CID 22087544
2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid
CID 11614149
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propylphenoxy)carbonylamino]acetic acid
CID 22087545
methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate
CID 23568566
2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 22087558

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide (CID 90894882) is N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide is CCN(Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1)S(=O)(=O)Cc1ccc(F)cc1.CCN(Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide?
The InChIKey is ACIHGCHWCKHAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O4S.C22H26N2O4S/c1-3-31(36(32,33)20-22-12-14-25(29)15-13-22)19-23-8-7-11-26(18-23)34-17-16-27-21(2)35-28(30-27)24-9-5-4-6-10-24;1-4-24(29(3,25)26)16-18-9-8-12-20(15-18)27-14-13-21-17(2)28-22(23-21)19-10-6-5-7-11-19/h4-15,18H,3,16-17,19-20H2,1-2H3;5-12,15H,4,13-14,16H2,1-3H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide?
N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide has a molecular weight of 923.14 g/mol, XLogP of 9.82, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 90894882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).