(2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C17H28N4O3 — CID 129429601

IUPAC(2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)C1
InChIInChI=1S/C17H28N4O3/c1-10-5-6-13(7-11(10)2)19-17(22)21-9-14(23-4)8-15(21)16-18-12(3)20-24-16/h10-11,13-15H,5-9H2,1-4H3,(H,19,22)/t10-,11+,13-,14+,15-/m1/s1
InChIKeyAJKSKYNQSSARKW-QFCKPIOYSA-N
MW336.44 g/mol
LogP2.67
Rot. Bonds3

About (2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

(2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 129429601) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID129429601
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)C1
InChIInChI=1S/C17H28N4O3/c1-10-5-6-13(7-11(10)2)19-17(22)21-9-14(23-4)8-15(21)16-18-12(3)20-24-16/h10-11,13-15H,5-9H2,1-4H3,(H,19,22)/t10-,11+,13-,14+,15-/m1/s1
InChIKeyAJKSKYNQSSARKW-QFCKPIOYSA-N
XLogP2.67
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 129429601) is (2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)C1.
What is the InChIKey of (2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is AJKSKYNQSSARKW-QFCKPIOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-10-5-6-13(7-11(10)2)19-17(22)21-9-14(23-4)8-15(21)16-18-12(3)20-24-16/h10-11,13-15H,5-9H2,1-4H3,(H,19,22)/t10-,11+,13-,14+,15-/m1/s1.
What are the key properties of (2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
(2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 129429601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).