4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid

C17H22N2O3 — CID 119135167

IUPAC4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)CCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H22N2O3/c1-19(12-6-10-17(20)21)11-5-9-15-13-16(18-22-15)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,20,21)
InChIKeyUMRLZZQZYRUAOO-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.07
Rot. Bonds9

About 4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid

4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid (PubChem CID 119135167) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
PubChem CID119135167
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)CCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H22N2O3/c1-19(12-6-10-17(20)21)11-5-9-15-13-16(18-22-15)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,20,21)
InChIKeyUMRLZZQZYRUAOO-UHFFFAOYSA-N
XLogP3.07
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid (CID 119135167) is 4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid is CN(CCCC(=O)O)CCCc1cc(-c2ccccc2)no1.
What is the InChIKey of 4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid?
The InChIKey is UMRLZZQZYRUAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19(12-6-10-17(20)21)11-5-9-15-13-16(18-22-15)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,20,21).
What are the key properties of 4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid?
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid has a molecular weight of 302.37 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid is sourced from PubChem (CID 119135167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).