(4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C18H31N3O3 — CID 50851748

IUPAC(4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCN1CCCC1CCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C18H31N3O3/c1-20-11-5-8-15(20)9-10-19-17(22)16-13-24-18(23)21(16)12-14-6-3-2-4-7-14/h14-16H,2-13H2,1H3,(H,19,22)/t15?,16-/m0/s1
InChIKeyOCFFMFOHNOQLEZ-LYKKTTPLSA-N
MW337.46 g/mol
LogP1.99
Rot. Bonds6

About (4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851748) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is (4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851748
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name(4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCN1CCCC1CCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C18H31N3O3/c1-20-11-5-8-15(20)9-10-19-17(22)16-13-24-18(23)21(16)12-14-6-3-2-4-7-14/h14-16H,2-13H2,1H3,(H,19,22)/t15?,16-/m0/s1
InChIKeyOCFFMFOHNOQLEZ-LYKKTTPLSA-N
XLogP1.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851748) is (4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CN1CCCC1CCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1.
What is the InChIKey of (4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is OCFFMFOHNOQLEZ-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-20-11-5-8-15(20)9-10-19-17(22)16-13-24-18(23)21(16)12-14-6-3-2-4-7-14/h14-16H,2-13H2,1H3,(H,19,22)/t15?,16-/m0/s1.
What are the key properties of (4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).