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

C18H14ClNO3 — CID 155539833

IUPAC3-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H14ClNO3/c19-14-8-6-12(7-9-14)17-18(13-4-2-1-3-5-13)23-15(20-17)10-11-16(21)22/h1-9H,10-11H2,(H,21,22)
InChIKeyKWAPUVOQMUFQBF-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.68
Rot. Bonds5

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

3-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid (PubChem CID 155539833) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid
PubChem CID155539833
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name3-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H14ClNO3/c19-14-8-6-12(7-9-14)17-18(13-4-2-1-3-5-13)23-15(20-17)10-11-16(21)22/h1-9H,10-11H2,(H,21,22)
InChIKeyKWAPUVOQMUFQBF-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

Oxaprozin
CID 4614
Romazarit
CID 71321
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
Phenylpropanoic acid derivative, 56
CID 10164032
Bms-687453
CID 16725047
3-[4-(3,4-Dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid
CID 132281867
4-[4-(3,4-Dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid
CID 139035063
Methyl 2-(4-chlorophenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 1484190
5-Methyl-2-phenyl-4-oxazoleacetic acid
CID 2775139
3-[5-[3,5-Bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 155294511
3-(5-(3,5-Bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid
CID 155491000
Phenylpropanoic acid derivative, 17l
CID 10137230

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid (CID 155539833) is 3-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid is O=C(O)CCc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)o1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is KWAPUVOQMUFQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c19-14-8-6-12(7-9-14)17-18(13-4-2-1-3-5-13)23-15(20-17)10-11-16(21)22/h1-9H,10-11H2,(H,21,22).
What are the key properties of 3-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid?
3-[4-(4-chlorophenyl)-5-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-[4-(4-chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 155539833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).