(4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide

C16H21N3O2S — CID 11652659

IUPAC(4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide
SMILESC[C@@H]1[C@H](c2ccccn2)OC(=S)N1C(=O)NC1CCCCC1
InChIInChI=1S/C16H21N3O2S/c1-11-14(13-9-5-6-10-17-13)21-16(22)19(11)15(20)18-12-7-3-2-4-8-12/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,18,20)/t11-,14-/m1/s1
InChIKeyYYQOOBUKOKFEHA-BXUZGUMPSA-N
MW319.43 g/mol
LogP3.17
Rot. Bonds2

About (4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide

(4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide (PubChem CID 11652659) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide
PubChem CID11652659
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide
SMILESC[C@@H]1[C@H](c2ccccn2)OC(=S)N1C(=O)NC1CCCCC1
InChIInChI=1S/C16H21N3O2S/c1-11-14(13-9-5-6-10-17-13)21-16(22)19(11)15(20)18-12-7-3-2-4-8-12/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,18,20)/t11-,14-/m1/s1
InChIKeyYYQOOBUKOKFEHA-BXUZGUMPSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide (CID 11652659) is (4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide is C[C@@H]1[C@H](c2ccccn2)OC(=S)N1C(=O)NC1CCCCC1.
What is the InChIKey of (4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide?
The InChIKey is YYQOOBUKOKFEHA-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-14(13-9-5-6-10-17-13)21-16(22)19(11)15(20)18-12-7-3-2-4-8-12/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,18,20)/t11-,14-/m1/s1.
What are the key properties of (4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide?
(4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-N-cyclohexyl-4-methyl-5-pyridin-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 11652659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).