(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

C12H20N2O3 — CID 124877387

IUPAC(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCN(CC1CCCCC1)C(=O)[C@@H]1COC(=O)N1
InChIInChI=1S/C12H20N2O3/c1-14(7-9-5-3-2-4-6-9)11(15)10-8-17-12(16)13-10/h9-10H,2-8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyIYXRVUAMVBWUCM-JTQLQIEISA-N
MW240.30 g/mol
LogP1.13
Rot. Bonds3

About (4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 124877387) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID124877387
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCN(CC1CCCCC1)C(=O)[C@@H]1COC(=O)N1
InChIInChI=1S/C12H20N2O3/c1-14(7-9-5-3-2-4-6-9)11(15)10-8-17-12(16)13-10/h9-10H,2-8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyIYXRVUAMVBWUCM-JTQLQIEISA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (CID 124877387) is (4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is CN(CC1CCCCC1)C(=O)[C@@H]1COC(=O)N1.
What is the InChIKey of (4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is IYXRVUAMVBWUCM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O3/c1-14(7-9-5-3-2-4-6-9)11(15)10-8-17-12(16)13-10/h9-10H,2-8H2,1H3,(H,13,16)/t10-/m0/s1.
What are the key properties of (4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 124877387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).