[(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone

C18H17NO3 — CID 139148630

IUPAC[(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone
SMILESCC1(C)C(c2ccccc2)=NO[C@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-17(2)15(13-9-5-3-6-10-13)19-22-18(17,21)16(20)14-11-7-4-8-12-14/h3-12,21H,1-2H3/t18-/m1/s1
InChIKeyIOHWJYSANZTHQG-GOSISDBHSA-N
MW295.34 g/mol
LogP3.02
Rot. Bonds3

About [(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone

[(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone (PubChem CID 139148630) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is [(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone
PubChem CID139148630
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name[(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone
SMILESCC1(C)C(c2ccccc2)=NO[C@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-17(2)15(13-9-5-3-6-10-13)19-22-18(17,21)16(20)14-11-7-4-8-12-14/h3-12,21H,1-2H3/t18-/m1/s1
InChIKeyIOHWJYSANZTHQG-GOSISDBHSA-N
XLogP3.02
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone?
The IUPAC name of [(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone (CID 139148630) is [(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone.
What is the SMILES notation for [(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone?
The canonical SMILES for [(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone is CC1(C)C(c2ccccc2)=NO[C@]1(O)C(=O)c1ccccc1.
What is the InChIKey of [(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone?
The InChIKey is IOHWJYSANZTHQG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17NO3/c1-17(2)15(13-9-5-3-6-10-13)19-22-18(17,21)16(20)14-11-7-4-8-12-14/h3-12,21H,1-2H3/t18-/m1/s1.
What are the key properties of [(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone?
[(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone has a molecular weight of 295.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-hydroxy-4,4-dimethyl-3-phenyl-1,2-oxazol-5-yl]-phenylmethanone is sourced from PubChem (CID 139148630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).