2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid

C23H22N2O4 — CID 170715983

IUPAC2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1nc(-c2ccccc2)c(-c2ccccc2)o1)C1CCCC1
InChIInChI=1S/C23H22N2O4/c26-19(27)15-25(18-13-7-8-14-18)23(28)22-24-20(16-9-3-1-4-10-16)21(29-22)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,26,27)
InChIKeyJBPXGOLUQITVKI-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.48
Rot. Bonds6

About 2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid

2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid (PubChem CID 170715983) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid
PubChem CID170715983
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1nc(-c2ccccc2)c(-c2ccccc2)o1)C1CCCC1
InChIInChI=1S/C23H22N2O4/c26-19(27)15-25(18-13-7-8-14-18)23(28)22-24-20(16-9-3-1-4-10-16)21(29-22)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,26,27)
InChIKeyJBPXGOLUQITVKI-UHFFFAOYSA-N
XLogP4.48
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid (CID 170715983) is 2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1nc(-c2ccccc2)c(-c2ccccc2)o1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid?
The InChIKey is JBPXGOLUQITVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-19(27)15-25(18-13-7-8-14-18)23(28)22-24-20(16-9-3-1-4-10-16)21(29-22)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,26,27).
What are the key properties of 2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid?
2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid has a molecular weight of 390.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 170715983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).