3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide

C14H20N4O2 — CID 79892916

IUPAC3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNc1nc2ccc(N)cc2o1
InChIInChI=1S/C14H20N4O2/c1-3-9(2)17-13(19)6-7-16-14-18-11-5-4-10(15)8-12(11)20-14/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQOBZNMQFINVCMX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.13
Rot. Bonds6

About 3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide

3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide (PubChem CID 79892916) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide
PubChem CID79892916
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNc1nc2ccc(N)cc2o1
InChIInChI=1S/C14H20N4O2/c1-3-9(2)17-13(19)6-7-16-14-18-11-5-4-10(15)8-12(11)20-14/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQOBZNMQFINVCMX-UHFFFAOYSA-N
XLogP2.13
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.13
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

2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide
CID 79890029
2-[(6-amino-1,3-benzoxazol-2-yl)amino]ethylurea
CID 83116991
2-N-(3-methylsulfinylbutyl)-1,3-benzoxazole-2,6-diamine
CID 113490368
1-[(6-amino-1,3-benzoxazol-2-yl)amino]pentan-2-ol
CID 113495532
3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide
CID 103000927
3-[(6-amino-1,3-benzoxazol-2-yl)amino]propane-1,2-diol
CID 79893329
2-N-(3-propoxypropyl)-1,3-benzoxazole-2,6-diamine
CID 82941930
[2-(butan-2-ylamino)-2-oxoethyl] 5-amino-1-benzofuran-2-carboxylate
CID 61320981
2-N-(3-methylbut-2-enyl)-1,3-benzoxazole-2,6-diamine
CID 106182241
3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
CID 119737569
methyl 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-3-methylbutanoate
CID 79892913
2-N-(1-ethoxypropan-2-yl)-1,3-benzoxazole-2,6-diamine
CID 79893287

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide (CID 79892916) is 3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNc1nc2ccc(N)cc2o1.
What is the InChIKey of 3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide?
The InChIKey is QOBZNMQFINVCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-9(2)17-13(19)6-7-16-14-18-11-5-4-10(15)8-12(11)20-14/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide?
3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 79892916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).