2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid

C26H27ClN2O6 — CID 46196684

IUPAC2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid
SMILESCc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)O)C(=O)OC2CCCC2)c1
InChIInChI=1S/C26H27ClN2O6/c1-17-23(28-25(34-17)19-9-11-20(27)12-10-19)16-33-22-8-4-5-18(13-22)14-29(15-24(30)31)26(32)35-21-6-2-3-7-21/h4-5,8-13,21H,2-3,6-7,14-16H2,1H3,(H,30,31)
InChIKeyJBCVQQAMZPGYCX-UHFFFAOYSA-N
MW498.96 g/mol
LogP5.85
Rot. Bonds9

About 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid

2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid (PubChem CID 46196684) has the molecular formula C26H27ClN2O6 and a molecular weight of 498.96 g/mol. Its IUPAC name is 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid
PubChem CID46196684
Molecular FormulaC26H27ClN2O6
Molecular Weight498.96 g/mol
Exact Mass498.16
IUPAC Name2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid
SMILESCc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)O)C(=O)OC2CCCC2)c1
InChIInChI=1S/C26H27ClN2O6/c1-17-23(28-25(34-17)19-9-11-20(27)12-10-19)16-33-22-8-4-5-18(13-22)14-29(15-24(30)31)26(32)35-21-6-2-3-7-21/h4-5,8-13,21H,2-3,6-7,14-16H2,1H3,(H,30,31)
InChIKeyJBCVQQAMZPGYCX-UHFFFAOYSA-N
XLogP5.85
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.96
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid?
The IUPAC name of 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid (CID 46196684) is 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid?
The canonical SMILES for 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid is Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)O)C(=O)OC2CCCC2)c1.
What is the InChIKey of 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid?
The InChIKey is JBCVQQAMZPGYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O6/c1-17-23(28-25(34-17)19-9-11-20(27)12-10-19)16-33-22-8-4-5-18(13-22)14-29(15-24(30)31)26(32)35-21-6-2-3-7-21/h4-5,8-13,21H,2-3,6-7,14-16H2,1H3,(H,30,31).
What are the key properties of 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid?
2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid has a molecular weight of 498.96 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-cyclopentyloxycarbonylamino]acetic acid is sourced from PubChem (CID 46196684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).