(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide

C17H27N3O2 — CID 97314346

IUPAC(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCC[C@@H]1C1CCCCC1
InChIInChI=1S/C17H27N3O2/c1-12-15(13(2)22-19-12)11-18-17(21)20-10-6-9-16(20)14-7-4-3-5-8-14/h14,16H,3-11H2,1-2H3,(H,18,21)/t16-/m1/s1
InChIKeyHOYBTXQRNBZVPS-MRXNPFEDSA-N
MW305.42 g/mol
LogP3.55
Rot. Bonds3

About (2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide

(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 97314346) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID97314346
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCC[C@@H]1C1CCCCC1
InChIInChI=1S/C17H27N3O2/c1-12-15(13(2)22-19-12)11-18-17(21)20-10-6-9-16(20)14-7-4-3-5-8-14/h14,16H,3-11H2,1-2H3,(H,18,21)/t16-/m1/s1
InChIKeyHOYBTXQRNBZVPS-MRXNPFEDSA-N
XLogP3.55
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-1-carboxamide
CID 75519025
2-cyclopentyl-N-[(2,5-dimethylfuran-3-yl)methyl]pyrrolidine-1-carboxamide
CID 86952444
cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95354750
(2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide
CID 95617489
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 125441252
2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 47862645
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
CID 112528606
5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 129002082
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 95146386
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate
CID 43404889
2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
CID 75388720

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 97314346) is (2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide is Cc1noc(C)c1CNC(=O)N1CCC[C@@H]1C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is HOYBTXQRNBZVPS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-15(13(2)22-19-12)11-18-17(21)20-10-6-9-16(20)14-7-4-3-5-8-14/h14,16H,3-11H2,1-2H3,(H,18,21)/t16-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide?
(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97314346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).