4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one

C20H21NO3 — CID 54562596

IUPAC4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
SMILESCC(C)C1(CCc2ccccc2O)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C20H21NO3/c1-14(2)20(13-12-15-8-6-7-11-17(15)22)19(23)24-18(21-20)16-9-4-3-5-10-16/h3-11,14,22H,12-13H2,1-2H3
InChIKeyZRPATUONVJPQRU-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.72
Rot. Bonds5

About 4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one

4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one (PubChem CID 54562596) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
PubChem CID54562596
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
SMILESCC(C)C1(CCc2ccccc2O)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C20H21NO3/c1-14(2)20(13-12-15-8-6-7-11-17(15)22)19(23)24-18(21-20)16-9-4-3-5-10-16/h3-11,14,22H,12-13H2,1-2H3
InChIKeyZRPATUONVJPQRU-UHFFFAOYSA-N
XLogP3.72
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 101412232
4-chloro-2-phenyl-4-propanoyl-1,3-oxazol-5-one
CID 13223327
2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate
CID 102179165
3-(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)propanenitrile
CID 13177925
(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one
CID 100997260
4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one
CID 100943366
methyl (3R)-3-[(4S)-4-benzyl-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylpropanoate
CID 122221428
(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one
CID 100997269
(4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one
CID 56602008
(4R)-4-benzyl-2-phenyl-4-[(1S)-4,4,4-trichloro-3-oxo-1-phenylbutyl]-1,3-oxazol-5-one
CID 122221427
(4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one
CID 135006221
(5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one
CID 11594055

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one?
The IUPAC name of 4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one (CID 54562596) is 4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one?
The canonical SMILES for 4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one is CC(C)C1(CCc2ccccc2O)N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one?
The InChIKey is ZRPATUONVJPQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14(2)20(13-12-15-8-6-7-11-17(15)22)19(23)24-18(21-20)16-9-4-3-5-10-16/h3-11,14,22H,12-13H2,1-2H3.
What are the key properties of 4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one?
4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one has a molecular weight of 323.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 54562596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).