(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide

C9H14N4O2 — CID 91911124

IUPAC(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CNC[C@H]1c1nc(C)no1
InChIInChI=1S/C9H14N4O2/c1-5-12-9(15-13-5)7-4-11-3-6(7)8(14)10-2/h6-7,11H,3-4H2,1-2H3,(H,10,14)/t6-,7-/m1/s1
InChIKeyIRZHDEAWYJEOJJ-RNFRBKRXSA-N
MW210.24 g/mol
LogP-0.57
Rot. Bonds2

About (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide

(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 91911124) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID91911124
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CNC[C@H]1c1nc(C)no1
InChIInChI=1S/C9H14N4O2/c1-5-12-9(15-13-5)7-4-11-3-6(7)8(14)10-2/h6-7,11H,3-4H2,1-2H3,(H,10,14)/t6-,7-/m1/s1
InChIKeyIRZHDEAWYJEOJJ-RNFRBKRXSA-N
XLogP-0.57
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide (CID 91911124) is (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CNC[C@H]1c1nc(C)no1.
What is the InChIKey of (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is IRZHDEAWYJEOJJ-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5-12-9(15-13-5)7-4-11-3-6(7)8(14)10-2/h6-7,11H,3-4H2,1-2H3,(H,10,14)/t6-,7-/m1/s1.
What are the key properties of (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide?
(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91911124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).