4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid

C13H13NO3 — CID 102036434

IUPAC4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C13H13NO3/c15-13(16)8-4-7-11-9-12(14-17-11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,15,16)
InChIKeyUMQKXRZRMVKYRY-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.75
Rot. Bonds5

About 4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid

4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid (PubChem CID 102036434) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
PubChem CID102036434
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C13H13NO3/c15-13(16)8-4-7-11-9-12(14-17-11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,15,16)
InChIKeyUMQKXRZRMVKYRY-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

4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
4-amino-3-[[3-carboxy-2-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propanoylamino]propanoyl]amino]-4-oxobutanoic acid
CID 71075434
2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid
CID 126722633
4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide
CID 51106000
3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride
CID 120610036
(3-phenyl-1,2-oxazol-5-yl)methanesulfinic acid
CID 165450453
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
[2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate
CID 67396206
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol
CID 143215403
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid?
The IUPAC name of 4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid (CID 102036434) is 4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid?
The canonical SMILES for 4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid is O=C(O)CCCc1cc(-c2ccccc2)no1.
What is the InChIKey of 4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid?
The InChIKey is UMQKXRZRMVKYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-13(16)8-4-7-11-9-12(14-17-11)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-(3-phenyl-1,2-oxazol-5-yl)butanoic acid?
4-(3-phenyl-1,2-oxazol-5-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-(3-phenyl-1,2-oxazol-5-yl)butanoic acid is sourced from PubChem (CID 102036434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).