3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide

C13H15N3O2 — CID 54862859

IUPAC3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C13H15N3O2/c1-9(14)5-13(17)16-11-4-2-3-10(6-11)12-7-15-8-18-12/h2-4,6-9H,5,14H2,1H3,(H,16,17)
InChIKeyWZJJUMLGRDMYNU-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.02
Rot. Bonds4

About 3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide

3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide (PubChem CID 54862859) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
PubChem CID54862859
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C13H15N3O2/c1-9(14)5-13(17)16-11-4-2-3-10(6-11)12-7-15-8-18-12/h2-4,6-9H,5,14H2,1H3,(H,16,17)
InChIKeyWZJJUMLGRDMYNU-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 82851895
3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 62965913
(2S)-2-amino-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 61180352
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
2-amino-3,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 76888066
2-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60926904
5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 60934205
3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 167813025
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
CID 47353684
2-(ethylamino)-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 62835671

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide?
The IUPAC name of 3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide (CID 54862859) is 3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide is CC(N)CC(=O)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of 3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide?
The InChIKey is WZJJUMLGRDMYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(14)5-13(17)16-11-4-2-3-10(6-11)12-7-15-8-18-12/h2-4,6-9H,5,14H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide?
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide has a molecular weight of 245.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 54862859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).