(4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone

C16H11NO3 — CID 59693114

IUPAC(4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1noc(-c2ccccc2)c1O
InChIInChI=1S/C16H11NO3/c18-14(11-7-3-1-4-8-11)13-15(19)16(20-17-13)12-9-5-2-6-10-12/h1-10,19H
InChIKeySDMGHZZNDRIYGW-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.28
Rot. Bonds3

About (4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone

(4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone (PubChem CID 59693114) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone
PubChem CID59693114
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name(4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1noc(-c2ccccc2)c1O
InChIInChI=1S/C16H11NO3/c18-14(11-7-3-1-4-8-11)13-15(19)16(20-17-13)12-9-5-2-6-10-12/h1-10,19H
InChIKeySDMGHZZNDRIYGW-UHFFFAOYSA-N
XLogP3.28
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone?
The IUPAC name of (4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone (CID 59693114) is (4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone.
What is the SMILES notation for (4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone?
The canonical SMILES for (4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone is O=C(c1ccccc1)c1noc(-c2ccccc2)c1O.
What is the InChIKey of (4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone?
The InChIKey is SDMGHZZNDRIYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-14(11-7-3-1-4-8-11)13-15(19)16(20-17-13)12-9-5-2-6-10-12/h1-10,19H.
What are the key properties of (4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone?
(4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone has a molecular weight of 265.27 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone is sourced from PubChem (CID 59693114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).