(4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one

C24H25NO3 — CID 11291807

IUPAC(4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one
SMILESC=C1CCCC(C(=O)N2C(=O)OC[C@H]2C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H25NO3/c1-17-9-8-14-20(15-17)23(26)25-21(16-28-24(25)27)22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20-22H,1,8-9,14-16H2/t20?,21-/m0/s1
InChIKeySKCAGSVNKNZMKZ-LBAQZLPGSA-N
MW375.47 g/mol
LogP4.91
Rot. Bonds4

About (4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one

(4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one (PubChem CID 11291807) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one
PubChem CID11291807
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one
SMILESC=C1CCCC(C(=O)N2C(=O)OC[C@H]2C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H25NO3/c1-17-9-8-14-20(15-17)23(26)25-21(16-28-24(25)27)22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20-22H,1,8-9,14-16H2/t20?,21-/m0/s1
InChIKeySKCAGSVNKNZMKZ-LBAQZLPGSA-N
XLogP4.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-benzyl-3-[(1S)-3-methylidenecyclopentanecarbonyl]-1,3-oxazolidin-2-one
CID 142165952
(4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 11760765
(4R)-4-benzhydryl-3-[(2S,3S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one
CID 10530066
(4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one
CID 11800198
methyl (4S)-5-[(4R)-4-benzhydryl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-2-methylidene-5-oxopentanoate
CID 12007575
(2S)-1-[(4R)-4-benzhydryl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-2-prop-2-enylbutane-1,4-dione
CID 135840157
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylethane-1,2-dione
CID 11832186
4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one
CID 89475510
propan-2-yl (2R,3R)-3-[(4S)-4-benzhydryl-2-oxo-1,3-oxazolidine-3-carbonyl]-2-(4-methoxyphenyl)-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 11353434
(4S)-3-[(2R,3S)-2-methyl-3-phenyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 24746063
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
(4S)-4-benzhydryl-3-[(2R,3S,4S)-4-methyl-2-(4-nitrophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-3-carbonyl]-1,3-oxazolidin-2-one
CID 102166320

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one (CID 11291807) is (4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one is C=C1CCCC(C(=O)N2C(=O)OC[C@H]2C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one?
The InChIKey is SKCAGSVNKNZMKZ-LBAQZLPGSA-N. The full InChI is InChI=1S/C24H25NO3/c1-17-9-8-14-20(15-17)23(26)25-21(16-28-24(25)27)22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20-22H,1,8-9,14-16H2/t20?,21-/m0/s1.
What are the key properties of (4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one?
(4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11291807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).