4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid

C13H13NO3 — CID 22221097

IUPAC4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid
SMILESO=C(O)CCCc1cnoc1-c1ccccc1
InChIInChI=1S/C13H13NO3/c15-12(16)8-4-7-11-9-14-17-13(11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,15,16)
InChIKeyXEIKDSYQTSIHAH-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.75
Rot. Bonds5

About 4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid

4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid (PubChem CID 22221097) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid
PubChem CID22221097
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid
SMILESO=C(O)CCCc1cnoc1-c1ccccc1
InChIInChI=1S/C13H13NO3/c15-12(16)8-4-7-11-9-14-17-13(11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,15,16)
InChIKeyXEIKDSYQTSIHAH-UHFFFAOYSA-N
XLogP2.75
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-imidazol-1-ylphenyl)-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
CID 22221318
N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
CID 87889786
4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one
CID 54134483
5-phenyl-4-prop-2-enyl-1,2-oxazole
CID 174302799
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
3-[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]propan-1-ol
CID 22221077
5-phenyl-1,2-oxazol-4-amine
CID 45117984
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)butanamide
CID 123973953
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide
CID 87892510
4-[2-phenyl-5-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 68842446
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid?
The IUPAC name of 4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid (CID 22221097) is 4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid.
What is the SMILES notation for 4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid?
The canonical SMILES for 4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid is O=C(O)CCCc1cnoc1-c1ccccc1.
What is the InChIKey of 4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid?
The InChIKey is XEIKDSYQTSIHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12(16)8-4-7-11-9-14-17-13(11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,15,16).
What are the key properties of 4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid?
4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid has a molecular weight of 231.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid is sourced from PubChem (CID 22221097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).