2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid

C13H13N3O4 — CID 91442299

IUPAC2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid
SMILESNC(=O)c1cccc2nc(C3CCCN3C(=O)O)oc12
InChIInChI=1S/C13H13N3O4/c14-11(17)7-3-1-4-8-10(7)20-12(15-8)9-5-2-6-16(9)13(18)19/h1,3-4,9H,2,5-6H2,(H2,14,17)(H,18,19)
InChIKeyHVYHDVFFFOYMJM-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.74
Rot. Bonds2

About 2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid

2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 91442299) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID91442299
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid
SMILESNC(=O)c1cccc2nc(C3CCCN3C(=O)O)oc12
InChIInChI=1S/C13H13N3O4/c14-11(17)7-3-1-4-8-10(7)20-12(15-8)9-5-2-6-16(9)13(18)19/h1,3-4,9H,2,5-6H2,(H2,14,17)(H,18,19)
InChIKeyHVYHDVFFFOYMJM-UHFFFAOYSA-N
XLogP1.74
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
CID 82231282
2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid
CID 81346576
2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid
CID 81333660
2-(aminomethyl)-1,3-benzoxazole-7-carboxamide
CID 118853991
2-acetyl-1,3-benzoxazole-7-carboxamide
CID 119020331
2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid
CID 83887429
2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide
CID 66620853
2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479701
2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide
CID 66621388
(2S)-2-[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 137054158
2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 71062504
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 139007285

Frequently Asked Questions

What is the IUPAC name of 2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid (CID 91442299) is 2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid is NC(=O)c1cccc2nc(C3CCCN3C(=O)O)oc12.
What is the InChIKey of 2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is HVYHDVFFFOYMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c14-11(17)7-3-1-4-8-10(7)20-12(15-8)9-5-2-6-16(9)13(18)19/h1,3-4,9H,2,5-6H2,(H2,14,17)(H,18,19).
What are the key properties of 2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid?
2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 91442299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).