(4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one

C17H29NO2 — CID 59877480

IUPAC(4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1CC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C17H29NO2/c1-14-12-20-16(19)18(14)13-17(10-6-3-7-11-17)15-8-4-2-5-9-15/h14-15H,2-13H2,1H3/t14-/m0/s1
InChIKeyFUQBZBBLJPWZQO-AWEZNQCLSA-N
MW279.42 g/mol
LogP4.36
Rot. Bonds3

About (4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one

(4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 59877480) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID59877480
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1CC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C17H29NO2/c1-14-12-20-16(19)18(14)13-17(10-6-3-7-11-17)15-8-4-2-5-9-15/h14-15H,2-13H2,1H3/t14-/m0/s1
InChIKeyFUQBZBBLJPWZQO-AWEZNQCLSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one (CID 59877480) is (4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one is C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCCCC1.
What is the InChIKey of (4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is FUQBZBBLJPWZQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14-12-20-16(19)18(14)13-17(10-6-3-7-11-17)15-8-4-2-5-9-15/h14-15H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 279.42 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1-cyclohexylcyclohexyl)methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59877480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).