(4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one

C19H25NO3 — CID 58101971

IUPAC(4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one
SMILESCC1CCC(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)CC1
InChIInChI=1S/C19H25NO3/c1-14-7-9-16(10-8-14)12-18(21)20-17(13-23-19(20)22)11-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3/t14?,16?,17-/m0/s1
InChIKeyRPRVDYYEENABDA-PREGVCBESA-N
MW315.41 g/mol
LogP3.79
Rot. Bonds4

About (4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 58101971) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID58101971
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one
SMILESCC1CCC(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)CC1
InChIInChI=1S/C19H25NO3/c1-14-7-9-16(10-8-14)12-18(21)20-17(13-23-19(20)22)11-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3/t14?,16?,17-/m0/s1
InChIKeyRPRVDYYEENABDA-PREGVCBESA-N
XLogP3.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one
CID 156622324
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 146583981
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439
4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one
CID 19797155
(4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 146584444

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one (CID 58101971) is (4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one is CC1CCC(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)CC1.
What is the InChIKey of (4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is RPRVDYYEENABDA-PREGVCBESA-N. The full InChI is InChI=1S/C19H25NO3/c1-14-7-9-16(10-8-14)12-18(21)20-17(13-23-19(20)22)11-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3/t14?,16?,17-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 315.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58101971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).