3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid

C18H15NO3 — CID 4614

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
InChIKeyOFPXSFXSNFPTHF-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.03
Rot. Bonds5

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid

3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid (PubChem CID 4614) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
PubChem CID4614
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
InChIKeyOFPXSFXSNFPTHF-UHFFFAOYSA-N
XLogP4.03
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
CID 157423218
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid
CID 174802507
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-hydroxyethyl(trimethyl)azanium
CID 175600148
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164615357
zinc;bis(3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate);dihydrate
CID 71477488
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
(2S,3S,4S,5R)-6-[4-[2-(2-carboxyethyl)-5-phenyl-1,3-oxazol-4-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 118753594
3-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanoic acid
CID 11949393
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 18271632

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid (CID 4614) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid is O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid?
The InChIKey is OFPXSFXSNFPTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21).
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid?
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 4614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).