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

C19H17NO3 — CID 10357855

IUPAC4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C19H17NO3/c21-17(22)13-7-12-16-20-18(14-8-3-1-4-9-14)19(23-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,21,22)
InChIKeyHDDMEFZHCWVDIJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.42
Rot. Bonds6

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

4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid (PubChem CID 10357855) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid
PubChem CID10357855
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C19H17NO3/c21-17(22)13-7-12-16-20-18(14-8-3-1-4-9-14)19(23-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,21,22)
InChIKeyHDDMEFZHCWVDIJ-UHFFFAOYSA-N
XLogP4.42
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid?
The IUPAC name of 4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid (CID 10357855) is 4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid?
The canonical SMILES for 4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid is O=C(O)CCCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid?
The InChIKey is HDDMEFZHCWVDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-17(22)13-7-12-16-20-18(14-8-3-1-4-9-14)19(23-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,21,22).
What are the key properties of 4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid?
4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid has a molecular weight of 307.35 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid is sourced from PubChem (CID 10357855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).