3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid

C18H14ClNO3 — CID 164615357

IUPAC3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1
InChIInChI=1S/C18H14ClNO3/c19-14-9-5-4-8-13(14)18-17(12-6-2-1-3-7-12)20-15(23-18)10-11-16(21)22/h1-9H,10-11H2,(H,21,22)
InChIKeyQKENJQXYCQBEKR-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.68
Rot. Bonds5

About 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid

3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid (PubChem CID 164615357) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
PubChem CID164615357
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1
InChIInChI=1S/C18H14ClNO3/c19-14-9-5-4-8-13(14)18-17(12-6-2-1-3-7-12)20-15(23-18)10-11-16(21)22/h1-9H,10-11H2,(H,21,22)
InChIKeyQKENJQXYCQBEKR-UHFFFAOYSA-N
XLogP4.68
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide
CID 177380562
6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
CID 157423218
3-[5-(3,5-difluorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164621381
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid
CID 174802507
7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid
CID 123292841
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 175600148
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
zinc;bis(3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate);dihydrate
CID 71477488
3-[4-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl]phenyl]propanoic acid
CID 67771808
2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 177380548
4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid
CID 11947956

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid (CID 164615357) is 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid is O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is QKENJQXYCQBEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c19-14-9-5-4-8-13(14)18-17(12-6-2-1-3-7-12)20-15(23-18)10-11-16(21)22/h1-9H,10-11H2,(H,21,22).
What are the key properties of 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid?
3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 327.77 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 164615357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).