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

C25H21NO6 — CID 174802507

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid
SMILESO=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.O=C(O)c1ccccc1O
InChIInChI=1S/C18H15NO3.C7H6O3/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;8-6-4-2-1-3-5(6)7(9)10/h1-10H,11-12H2,(H,20,21);1-4,8H,(H,9,10)
InChIKeyZXPXQNPVPJDVNX-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.12
Rot. Bonds6

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

3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid (PubChem CID 174802507) has the molecular formula C25H21NO6 and a molecular weight of 431.44 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid
PubChem CID174802507
Molecular FormulaC25H21NO6
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid
SMILESO=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.O=C(O)c1ccccc1O
InChIInChI=1S/C18H15NO3.C7H6O3/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;8-6-4-2-1-3-5(6)7(9)10/h1-10H,11-12H2,(H,20,21);1-4,8H,(H,9,10)
InChIKeyZXPXQNPVPJDVNX-UHFFFAOYSA-N
XLogP5.12
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
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-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
butanedioic acid;2-hydroxybenzoic acid
CID 68741404
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 18271632
(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

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid (CID 174802507) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid is O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.O=C(O)c1ccccc1O.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid?
The InChIKey is ZXPXQNPVPJDVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3.C7H6O3/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;8-6-4-2-1-3-5(6)7(9)10/h1-10H,11-12H2,(H,20,21);1-4,8H,(H,9,10).
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid?
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid has a molecular weight of 431.44 g/mol, XLogP of 5.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid is sourced from PubChem (CID 174802507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).