3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid

C15H15NO3 — CID 117396219

IUPAC3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid
SMILESO=C(O)CC(c1ccccc1-c1ncco1)C1CC1
InChIInChI=1S/C15H15NO3/c17-14(18)9-13(10-5-6-10)11-3-1-2-4-12(11)15-16-7-8-19-15/h1-4,7-8,10,13H,5-6,9H2,(H,17,18)
InChIKeyBXWHOTCQXITBKR-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.31
Rot. Bonds5

About 3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid

3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid (PubChem CID 117396219) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid
PubChem CID117396219
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid
SMILESO=C(O)CC(c1ccccc1-c1ncco1)C1CC1
InChIInChI=1S/C15H15NO3/c17-14(18)9-13(10-5-6-10)11-3-1-2-4-12(11)15-16-7-8-19-15/h1-4,7-8,10,13H,5-6,9H2,(H,17,18)
InChIKeyBXWHOTCQXITBKR-UHFFFAOYSA-N
XLogP3.31
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid
CID 117492322
3-(1,2-benzoxazol-4-yl)-3-cyclopropylpropanoic acid
CID 117333889
3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid
CID 117107758
(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 124582441
3-cyclopropyl-3-[2-(1,1-difluoroethyl)phenyl]propanoic acid
CID 117388777
2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid
CID 117308845
3-cyclopropyl-3-(3-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321662
3-(2-chlorophenyl)-3-cyclohexylpropanoic acid
CID 82092094
3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid
CID 117364713
3-cyclopropyl-3-[2-(pyrrolidin-1-ylmethyl)phenyl]propanoic acid
CID 117436283
3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid
CID 117440018
3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid
CID 117107768

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid (CID 117396219) is 3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid is O=C(O)CC(c1ccccc1-c1ncco1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid?
The InChIKey is BXWHOTCQXITBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-14(18)9-13(10-5-6-10)11-3-1-2-4-12(11)15-16-7-8-19-15/h1-4,7-8,10,13H,5-6,9H2,(H,17,18).
What are the key properties of 3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid?
3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid has a molecular weight of 257.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid is sourced from PubChem (CID 117396219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).