4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide

C12H12N4O3 — CID 62902736

IUPAC4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide
SMILESNc1ccc(C(=O)NCC(=O)Nc2cnoc2)cc1
InChIInChI=1S/C12H12N4O3/c13-9-3-1-8(2-4-9)12(18)14-6-11(17)16-10-5-15-19-7-10/h1-5,7H,6,13H2,(H,14,18)(H,16,17)
InChIKeyXMQBCJIMAJANFL-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.63
Rot. Bonds4

About 4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide

4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide (PubChem CID 62902736) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide
PubChem CID62902736
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide
SMILESNc1ccc(C(=O)NCC(=O)Nc2cnoc2)cc1
InChIInChI=1S/C12H12N4O3/c13-9-3-1-8(2-4-9)12(18)14-6-11(17)16-10-5-15-19-7-10/h1-5,7H,6,13H2,(H,14,18)(H,16,17)
InChIKeyXMQBCJIMAJANFL-UHFFFAOYSA-N
XLogP0.63
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl]benzamide
CID 43822670
4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide
CID 28881842
4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 115597400
N-(1,2-oxazol-4-yl)pyridine-4-carboxamide
CID 71797676
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
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CID 65314150
4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide
CID 83111327
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide
CID 79193732
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
CID 102805519
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide (CID 62902736) is 4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide is Nc1ccc(C(=O)NCC(=O)Nc2cnoc2)cc1.
What is the InChIKey of 4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide?
The InChIKey is XMQBCJIMAJANFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c13-9-3-1-8(2-4-9)12(18)14-6-11(17)16-10-5-15-19-7-10/h1-5,7H,6,13H2,(H,14,18)(H,16,17).
What are the key properties of 4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide?
4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide has a molecular weight of 260.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 62902736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).