[1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate

C16H13N3O4 — CID 23803073

IUPAC[1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate
SMILESCC(OC(=O)c1ccc2ocnc2c1)C(=O)Nc1cccnc1
InChIInChI=1S/C16H13N3O4/c1-10(15(20)19-12-3-2-6-17-8-12)23-16(21)11-4-5-14-13(7-11)18-9-22-14/h2-10H,1H3,(H,19,20)
InChIKeyQJNXGZWNCKVRPL-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.41
Rot. Bonds4

About [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate

[1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate (PubChem CID 23803073) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate
PubChem CID23803073
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name[1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate
SMILESCC(OC(=O)c1ccc2ocnc2c1)C(=O)Nc1cccnc1
InChIInChI=1S/C16H13N3O4/c1-10(15(20)19-12-3-2-6-17-8-12)23-16(21)11-4-5-14-13(7-11)18-9-22-14/h2-10H,1H3,(H,19,20)
InChIKeyQJNXGZWNCKVRPL-UHFFFAOYSA-N
XLogP2.41
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate 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-(4-iodoanilino)-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
CID 23971984
[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
CID 23887988
[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 9413930
[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
CID 23916073
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2355110
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2386320
[1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
CID 23803071
[1-(3,4-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23773848
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23887995
[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23860248
[1-(4-acetamidoanilino)-1-oxobutan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23916326
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate?
The IUPAC name of [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate (CID 23803073) is [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate.
What is the SMILES notation for [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate?
The canonical SMILES for [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate is CC(OC(=O)c1ccc2ocnc2c1)C(=O)Nc1cccnc1.
What is the InChIKey of [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate?
The InChIKey is QJNXGZWNCKVRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-10(15(20)19-12-3-2-6-17-8-12)23-16(21)11-4-5-14-13(7-11)18-9-22-14/h2-10H,1H3,(H,19,20).
What are the key properties of [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate?
[1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate has a molecular weight of 311.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 1,3-benzoxazole-5-carboxylate is sourced from PubChem (CID 23803073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).