(4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one

C16H13NO3 — CID 135070859

IUPAC(4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C16H13NO3/c18-13-8-6-11(7-9-13)10-14-16(19)20-15(17-14)12-4-2-1-3-5-12/h1-9,14,18H,10H2/t14-/m1/s1
InChIKeyBYAVGALFYUPDQR-CQSZACIVSA-N
MW267.28 g/mol
LogP2.31
Rot. Bonds3

About (4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one

(4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 135070859) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID135070859
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C16H13NO3/c18-13-8-6-11(7-9-13)10-14-16(19)20-15(17-14)12-4-2-1-3-5-12/h1-9,14,18H,10H2/t14-/m1/s1
InChIKeyBYAVGALFYUPDQR-CQSZACIVSA-N
XLogP2.31
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 2756650
2-phenyl-4-prop-2-enyl-4H-1,3-oxazol-5-one
CID 11127309
4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane
CID 123819241
2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one
CID 86111368
4-acetyl-2-phenyl-4H-1,3-oxazol-5-one
CID 13223325
5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one
CID 13293995
4-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
CID 164800110
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
4-(2-methylsulfanylethyl)-2-[4-[4-(2-methylsulfanylethyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one
CID 14529607
4-(cyclohexanecarbonyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 90917262
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
2-[(4S,5S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]acetic acid
CID 10017392

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one (CID 135070859) is (4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N[C@@H]1Cc1ccc(O)cc1.
What is the InChIKey of (4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is BYAVGALFYUPDQR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13NO3/c18-13-8-6-11(7-9-13)10-14-16(19)20-15(17-14)12-4-2-1-3-5-12/h1-9,14,18H,10H2/t14-/m1/s1.
What are the key properties of (4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one?
(4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 267.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 135070859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).