4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid

C14H16N2O3 — CID 43473610

IUPAC4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
SMILESO=C(O)CCCNCc1coc(-c2ccccc2)n1
InChIInChI=1S/C14H16N2O3/c17-13(18)7-4-8-15-9-12-10-19-14(16-12)11-5-2-1-3-6-11/h1-3,5-6,10,15H,4,7-9H2,(H,17,18)
InChIKeyFDGUUPNEFOKVMS-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.30
Rot. Bonds7

About 4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid

4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid (PubChem CID 43473610) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
PubChem CID43473610
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
SMILESO=C(O)CCCNCc1coc(-c2ccccc2)n1
InChIInChI=1S/C14H16N2O3/c17-13(18)7-4-8-15-9-12-10-19-14(16-12)11-5-2-1-3-6-11/h1-3,5-6,10,15H,4,7-9H2,(H,17,18)
InChIKeyFDGUUPNEFOKVMS-UHFFFAOYSA-N
XLogP2.30
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468509
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
CID 110884956
methyl 3-[[N'-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]carbamimidoyl]amino]propanoate
CID 111551824
2-(2-methoxyethylamino)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119782299
1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507627
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol
CID 111698359
5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
1-butyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552466
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120961897
3-(3-but-3-ynyldiazirin-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 154773438
N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91793199

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid?
The IUPAC name of 4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid (CID 43473610) is 4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid.
What is the SMILES notation for 4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid?
The canonical SMILES for 4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid is O=C(O)CCCNCc1coc(-c2ccccc2)n1.
What is the InChIKey of 4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid?
The InChIKey is FDGUUPNEFOKVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(18)7-4-8-15-9-12-10-19-14(16-12)11-5-2-1-3-6-11/h1-3,5-6,10,15H,4,7-9H2,(H,17,18).
What are the key properties of 4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid?
4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid is sourced from PubChem (CID 43473610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).