3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H15N3O2 — CID 54905585

IUPAC3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2ccc(N)cc2)no1
InChIInChI=1S/C13H15N3O2/c1-9-8-12(16-18-9)15-13(17)7-4-10-2-5-11(14)6-3-10/h2-3,5-6,8H,4,7,14H2,1H3,(H,15,16,17)
InChIKeyBHIRBDYQLRVHBK-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.14
Rot. Bonds4

About 3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 54905585) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID54905585
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2ccc(N)cc2)no1
InChIInChI=1S/C13H15N3O2/c1-9-8-12(16-18-9)15-13(17)7-4-10-2-5-11(14)6-3-10/h2-3,5-6,8H,4,7,14H2,1H3,(H,15,16,17)
InChIKeyBHIRBDYQLRVHBK-UHFFFAOYSA-N
XLogP2.14
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110865452
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
3-(2-amino-1,3-thiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110330212
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390056
3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 46487182
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
CID 113037695
3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
CID 28713222
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43213085

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 54905585) is 3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCc2ccc(N)cc2)no1.
What is the InChIKey of 3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is BHIRBDYQLRVHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-8-12(16-18-9)15-13(17)7-4-10-2-5-11(14)6-3-10/h2-3,5-6,8H,4,7,14H2,1H3,(H,15,16,17).
What are the key properties of 3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 245.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 54905585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).