3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid

C19H17NO3 — CID 117492322

IUPAC3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(c1ccccc1-c1nc2ccccc2o1)C1CC1
InChIInChI=1S/C19H17NO3/c21-18(22)11-15(12-9-10-12)13-5-1-2-6-14(13)19-20-16-7-3-4-8-17(16)23-19/h1-8,12,15H,9-11H2,(H,21,22)
InChIKeyZXFMDRLSLGQDIH-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.46
Rot. Bonds5

About 3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid

3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid (PubChem CID 117492322) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid
PubChem CID117492322
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(c1ccccc1-c1nc2ccccc2o1)C1CC1
InChIInChI=1S/C19H17NO3/c21-18(22)11-15(12-9-10-12)13-5-1-2-6-14(13)19-20-16-7-3-4-8-17(16)23-19/h1-8,12,15H,9-11H2,(H,21,22)
InChIKeyZXFMDRLSLGQDIH-UHFFFAOYSA-N
XLogP4.46
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid
CID 117396219
3-amino-2-[2-(1,3-benzoxazol-2-yl)phenyl]propanoic acid
CID 117453529
3-(1,2-benzoxazol-4-yl)-3-cyclopropylpropanoic acid
CID 117333889
1-[2-(1,3-benzoxazol-2-yl)phenyl]but-3-en-1-amine;(E)-but-2-enedioic acid
CID 158840978
3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid
CID 117107758
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid
CID 119213480
(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 124582441
3-cyclopropyl-3-[2-(1,1-difluoroethyl)phenyl]propanoic acid
CID 117388777
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid?
The IUPAC name of 3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid (CID 117492322) is 3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid is O=C(O)CC(c1ccccc1-c1nc2ccccc2o1)C1CC1.
What is the InChIKey of 3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid?
The InChIKey is ZXFMDRLSLGQDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-18(22)11-15(12-9-10-12)13-5-1-2-6-14(13)19-20-16-7-3-4-8-17(16)23-19/h1-8,12,15H,9-11H2,(H,21,22).
What are the key properties of 3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid?
3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid has a molecular weight of 307.35 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzoxazol-2-yl)phenyl]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117492322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).