2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide

C10H12N4O2 — CID 79885752

IUPAC2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide
SMILESCC(Nc1nc2cc(N)ccc2o1)C(N)=O
InChIInChI=1S/C10H12N4O2/c1-5(9(12)15)13-10-14-7-4-6(11)2-3-8(7)16-10/h2-5H,11H2,1H3,(H2,12,15)(H,13,14)
InChIKeyLCKZNBPYAPIXIX-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.70
Rot. Bonds3

About 2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide

2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide (PubChem CID 79885752) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide
PubChem CID79885752
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide
SMILESCC(Nc1nc2cc(N)ccc2o1)C(N)=O
InChIInChI=1S/C10H12N4O2/c1-5(9(12)15)13-10-14-7-4-6(11)2-3-8(7)16-10/h2-5H,11H2,1H3,(H2,12,15)(H,13,14)
InChIKeyLCKZNBPYAPIXIX-UHFFFAOYSA-N
XLogP0.70
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.70
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-[(1-amino-1-oxopropan-2-yl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690721
2-N-(1-cyclopropylethyl)-1,3-benzoxazole-2,5-diamine
CID 79885238
2-N-[1-(4-bromophenyl)ethyl]-1,3-benzoxazole-2,5-diamine
CID 79890343
2-N-(1-cyclohexylethyl)-1,3-benzoxazole-2,5-diamine
CID 79891040
methyl 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-3-methylbutanoate
CID 79892913
2-[(5-amino-1,3-benzoxazol-2-yl)sulfinyl]-N-carbamoylpropanamide
CID 61367516
2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide
CID 79885020
(1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol
CID 66263440
2-[(5-amino-1,3-benzoxazol-2-yl)sulfinyl]-N-methylpropanamide
CID 61367897
2-(propan-2-ylamino)-1,3-benzoxazol-5-ol
CID 89172308
2-N-(3-methoxy-2-methylpropyl)-1,3-benzoxazole-2,5-diamine
CID 79890051
2-[(4-nitro-1,3-benzoxazol-2-yl)amino]propanamide
CID 79881441

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide?
The IUPAC name of 2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide (CID 79885752) is 2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide.
What is the SMILES notation for 2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide?
The canonical SMILES for 2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide is CC(Nc1nc2cc(N)ccc2o1)C(N)=O.
What is the InChIKey of 2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide?
The InChIKey is LCKZNBPYAPIXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-5(9(12)15)13-10-14-7-4-6(11)2-3-8(7)16-10/h2-5H,11H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide?
2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide has a molecular weight of 220.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide is sourced from PubChem (CID 79885752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).