2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide

C12H16N4O2 — CID 79890029

IUPAC2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc2ccc(N)cc2o1
InChIInChI=1S/C12H16N4O2/c1-7(2)15-11(17)6-14-12-16-9-4-3-8(13)5-10(9)18-12/h3-5,7H,6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeySMOQGEQUUXDUNM-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.35
Rot. Bonds4

About 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide

2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide (PubChem CID 79890029) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide
PubChem CID79890029
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc2ccc(N)cc2o1
InChIInChI=1S/C12H16N4O2/c1-7(2)15-11(17)6-14-12-16-9-4-3-8(13)5-10(9)18-12/h3-5,7H,6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeySMOQGEQUUXDUNM-UHFFFAOYSA-N
XLogP1.35
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide 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

2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 61359047
3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide
CID 79892916
3-[(6-amino-1,3-benzoxazol-2-yl)amino]propane-1,2-diol
CID 79893329
2-[(6-amino-1,3-benzoxazol-2-yl)amino]ethylurea
CID 83116991
2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide
CID 79885020
2-N-(2-methyl-2-methylsulfonylpropyl)-1,3-benzoxazole-2,6-diamine
CID 79893031
2-N-(3-methylsulfinylbutyl)-1,3-benzoxazole-2,6-diamine
CID 113490368
2-N-(3-methylbut-2-enyl)-1,3-benzoxazole-2,6-diamine
CID 106182241
1-[(6-amino-1,3-benzoxazol-2-yl)amino]pentan-2-ol
CID 113495532
methyl 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-3-methylbutanoate
CID 79892913
1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 79892875
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 61359438

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide (CID 79890029) is 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1nc2ccc(N)cc2o1.
What is the InChIKey of 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is SMOQGEQUUXDUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(2)15-11(17)6-14-12-16-9-4-3-8(13)5-10(9)18-12/h3-5,7H,6,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide?
2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 248.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 79890029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).