(4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one

C23H25NO3 — CID 139115424

IUPAC(4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCC[C@]1(C(=O)N2C(=O)OC[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C23H25NO3/c1-2-3-14-23(15-19(23)17-10-6-4-7-11-17)21(25)24-20(16-27-22(24)26)18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3/t19-,20-,23+/m1/s1
InChIKeyCHUGRKNPQNZBPM-VIZSFHNOSA-N
MW363.46 g/mol
LogP5.07
Rot. Bonds6

About (4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 139115424) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID139115424
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCC[C@]1(C(=O)N2C(=O)OC[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C23H25NO3/c1-2-3-14-23(15-19(23)17-10-6-4-7-11-17)21(25)24-20(16-27-22(24)26)18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3/t19-,20-,23+/m1/s1
InChIKeyCHUGRKNPQNZBPM-VIZSFHNOSA-N
XLogP5.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101031105
(4S)-3-[(2S)-2-[(1R)-1-hydroxyethyl]hexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134837890
(4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10936532
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101113986
3-(2-methylhept-4-ynoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 123161521
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 22912437

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one (CID 139115424) is (4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one is CCCC[C@]1(C(=O)N2C(=O)OC[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CHUGRKNPQNZBPM-VIZSFHNOSA-N. The full InChI is InChI=1S/C23H25NO3/c1-2-3-14-23(15-19(23)17-10-6-4-7-11-17)21(25)24-20(16-27-22(24)26)18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3/t19-,20-,23+/m1/s1.
What are the key properties of (4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 363.46 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139115424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).