4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one

C23H17NO2 — CID 46930892

IUPAC4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one
SMILESO=C1c2ccccc2-c2c1cccc2C1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C23H17NO2/c25-22-18-10-5-4-9-17(18)21-19(22)11-6-12-20(21)23-24-16(14-26-23)13-15-7-2-1-3-8-15/h1-12,16H,13-14H2/t16-/m0/s1
InChIKeyBUFQWGGJIYDQQC-INIZCTEOSA-N
MW339.39 g/mol
LogP4.29
Rot. Bonds3

About 4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one

4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one (PubChem CID 46930892) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one.

Molecular Properties

Compound Name4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one
PubChem CID46930892
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one
SMILESO=C1c2ccccc2-c2c1cccc2C1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C23H17NO2/c25-22-18-10-5-4-9-17(18)21-19(22)11-6-12-20(21)23-24-16(14-26-23)13-15-7-2-1-3-8-15/h1-12,16H,13-14H2/t16-/m0/s1
InChIKeyBUFQWGGJIYDQQC-INIZCTEOSA-N
XLogP4.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4,5-Dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone
CID 11737546
[2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone
CID 13433198
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]-phenylmethanone
CID 13433200
1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-phenylphenyl]ethanone
CID 14197425
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-phenylmethanone
CID 14197426
trans-4-Benzoyl-2,5-diphenyl oxazoline
CID 129855473
[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone
CID 139221412
phenyl-[(4R)-2-[2-[(E)-3-phenylprop-2-enyl]selanylphenyl]-4,5-dihydro-1,3-oxazol-4-yl]methanone
CID 139266623
(2-Phenyl-4,5-dihydro-1,3-oxazol-5-yl)-(2-phenylphenyl)methanone
CID 177857022
2-(5-Phenyl-4,5-dihydro-1,3-oxazol-2-yl)indene-1,3-dione
CID 132469013
5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]-2,3-dihydroinden-1-one
CID 53837376
5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]-7-methyl-2,3-dihydroinden-1-one
CID 54022212

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one?
The IUPAC name of 4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one (CID 46930892) is 4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one.
What is the SMILES notation for 4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one?
The canonical SMILES for 4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one is O=C1c2ccccc2-c2c1cccc2C1=N[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of 4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one?
The InChIKey is BUFQWGGJIYDQQC-INIZCTEOSA-N. The full InChI is InChI=1S/C23H17NO2/c25-22-18-10-5-4-9-17(18)21-19(22)11-6-12-20(21)23-24-16(14-26-23)13-15-7-2-1-3-8-15/h1-12,16H,13-14H2/t16-/m0/s1.
What are the key properties of 4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one?
4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one has a molecular weight of 339.39 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one is sourced from PubChem (CID 46930892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).