2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid

C15H14N2O4 — CID 119195360

IUPAC2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(-c2cnco2)cc1)C1CC1
InChIInChI=1S/C15H14N2O4/c18-14(19)8-17(12-5-6-12)15(20)11-3-1-10(2-4-11)13-7-16-9-21-13/h1-4,7,9,12H,5-6,8H2,(H,18,19)
InChIKeyFCFCEULCMZUQMY-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.03
Rot. Bonds5

About 2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid

2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid (PubChem CID 119195360) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid
PubChem CID119195360
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(-c2cnco2)cc1)C1CC1
InChIInChI=1S/C15H14N2O4/c18-14(19)8-17(12-5-6-12)15(20)11-3-1-10(2-4-11)13-7-16-9-21-13/h1-4,7,9,12H,5-6,8H2,(H,18,19)
InChIKeyFCFCEULCMZUQMY-UHFFFAOYSA-N
XLogP2.03
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid (CID 119195360) is 2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid is O=C(O)CN(C(=O)c1ccc(-c2cnco2)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid?
The InChIKey is FCFCEULCMZUQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14(19)8-17(12-5-6-12)15(20)11-3-1-10(2-4-11)13-7-16-9-21-13/h1-4,7,9,12H,5-6,8H2,(H,18,19).
What are the key properties of 2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid?
2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid has a molecular weight of 286.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119195360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).