ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

C28H30N2O5 — CID 67479375

IUPACethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)N(c1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)OCC)CC3)cc2)cc1)C1CC1
InChIInChI=1S/C28H30N2O5/c1-4-33-26(31)28(16-17-28)22-12-10-20(11-13-22)19-6-8-21(9-7-19)25-24(18(3)29-35-25)30(23-14-15-23)27(32)34-5-2/h6-13,23H,4-5,14-17H2,1-3H3
InChIKeyPQLBDKLLACALCV-UHFFFAOYSA-N
MW474.56 g/mol
LogP6.04
Rot. Bonds8

About ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate (PubChem CID 67479375) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
PubChem CID67479375
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Nameethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)N(c1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)OCC)CC3)cc2)cc1)C1CC1
InChIInChI=1S/C28H30N2O5/c1-4-33-26(31)28(16-17-28)22-12-10-20(11-13-22)19-6-8-21(9-7-19)25-24(18(3)29-35-25)30(23-14-15-23)27(32)34-5-2/h6-13,23H,4-5,14-17H2,1-3H3
InChIKeyPQLBDKLLACALCV-UHFFFAOYSA-N
XLogP6.04
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate (CID 67479375) is ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate is CCOC(=O)N(c1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)OCC)CC3)cc2)cc1)C1CC1.
What is the InChIKey of ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The InChIKey is PQLBDKLLACALCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-4-33-26(31)28(16-17-28)22-12-10-20(11-13-22)19-6-8-21(9-7-19)25-24(18(3)29-35-25)30(23-14-15-23)27(32)34-5-2/h6-13,23H,4-5,14-17H2,1-3H3.
What are the key properties of ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[4-[4-[cyclopropyl(ethoxycarbonyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 67479375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).