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

C14H17N3O2 — CID 104501972

IUPAC3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide
SMILESCc1cc(NC(=O)CC(C)c2ccc(N)cc2)on1
InChIInChI=1S/C14H17N3O2/c1-9(11-3-5-12(15)6-4-11)7-13(18)16-14-8-10(2)17-19-14/h3-6,8-9H,7,15H2,1-2H3,(H,16,18)
InChIKeyRAIOHMBQYHJFFP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.70
Rot. Bonds4

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

3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide (PubChem CID 104501972) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide
PubChem CID104501972
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide
SMILESCc1cc(NC(=O)CC(C)c2ccc(N)cc2)on1
InChIInChI=1S/C14H17N3O2/c1-9(11-3-5-12(15)6-4-11)7-13(18)16-14-8-10(2)17-19-14/h3-6,8-9H,7,15H2,1-2H3,(H,16,18)
InChIKeyRAIOHMBQYHJFFP-UHFFFAOYSA-N
XLogP2.70
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 81071258
3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide
CID 104502578
3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide
CID 104502828
2-[3-(4-aminophenyl)butanoylamino]butanedioic acid
CID 104502890
3-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)butanamide
CID 104502253
3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 104502076
3-(4-aminophenyl)-N-(1-methylsulfonylpropan-2-yl)butanamide
CID 104502707
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
CID 104502050
3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
CID 102805605
(2S)-2-[3-(4-aminophenyl)butanoylamino]-4-methylpentanoic acid
CID 104502398
2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 61089900
3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide
CID 104502256

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide (CID 104501972) is 3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide is Cc1cc(NC(=O)CC(C)c2ccc(N)cc2)on1.
What is the InChIKey of 3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide?
The InChIKey is RAIOHMBQYHJFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(11-3-5-12(15)6-4-11)7-13(18)16-14-8-10(2)17-19-14/h3-6,8-9H,7,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide?
3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide has a molecular weight of 259.31 g/mol, XLogP of 2.70, 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-(3-methyl-1,2-oxazol-5-yl)butanamide is sourced from PubChem (CID 104501972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).