5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid

C13H9N3O4 — CID 155164296

IUPAC5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid
SMILESO=C(Nc1ccc2cn(C(=O)O)cc2c1)c1cocn1
InChIInChI=1S/C13H9N3O4/c17-12(11-6-20-7-14-11)15-10-2-1-8-4-16(13(18)19)5-9(8)3-10/h1-7H,(H,15,17)(H,18,19)
InChIKeyNRQGCTUXDQAUNE-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.41
Rot. Bonds2

About 5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid

5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid (PubChem CID 155164296) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid
PubChem CID155164296
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC Name5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid
SMILESO=C(Nc1ccc2cn(C(=O)O)cc2c1)c1cocn1
InChIInChI=1S/C13H9N3O4/c17-12(11-6-20-7-14-11)15-10-2-1-8-4-16(13(18)19)5-9(8)3-10/h1-7H,(H,15,17)(H,18,19)
InChIKeyNRQGCTUXDQAUNE-UHFFFAOYSA-N
XLogP2.41
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1,3-oxazole-4-carbonylamino)isoindole-2-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

N-(4-aminophenyl)-1,3-oxazole-4-carboxamide
CID 22612942
N-[4-[[3-chloro-4-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-1,3-oxazole-4-carboxamide
CID 3006479
ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane
CID 145236697
5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid
CID 155164298
tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate
CID 137320728
N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 118471591
N-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 141173163
N-(2,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 91156888
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide
CID 24951699
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 141173121

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid?
The IUPAC name of 5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid (CID 155164296) is 5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid.
What is the SMILES notation for 5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid?
The canonical SMILES for 5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid is O=C(Nc1ccc2cn(C(=O)O)cc2c1)c1cocn1.
What is the InChIKey of 5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid?
The InChIKey is NRQGCTUXDQAUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4/c17-12(11-6-20-7-14-11)15-10-2-1-8-4-16(13(18)19)5-9(8)3-10/h1-7H,(H,15,17)(H,18,19).
What are the key properties of 5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid?
5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid is sourced from PubChem (CID 155164296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).