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

C17H26N6O2 — CID 91923283

IUPAC(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1noc([C@@H]2CNC[C@H]2C(=O)N(C)CCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C17H26N6O2/c1-10-13(11(2)23(5)20-10)6-7-22(4)17(24)15-9-18-8-14(15)16-19-12(3)21-25-16/h14-15,18H,6-9H2,1-5H3/t14-,15-/m1/s1
InChIKeyBKFCTAPFRAFCJX-HUUCEWRRSA-N
MW346.44 g/mol
LogP0.73
Rot. Bonds5

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

(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 91923283) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID91923283
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1noc([C@@H]2CNC[C@H]2C(=O)N(C)CCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C17H26N6O2/c1-10-13(11(2)23(5)20-10)6-7-22(4)17(24)15-9-18-8-14(15)16-19-12(3)21-25-16/h14-15,18H,6-9H2,1-5H3/t14-,15-/m1/s1
InChIKeyBKFCTAPFRAFCJX-HUUCEWRRSA-N
XLogP0.73
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide (CID 91923283) is (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide is Cc1noc([C@@H]2CNC[C@H]2C(=O)N(C)CCc2c(C)nn(C)c2C)n1.
What is the InChIKey of (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is BKFCTAPFRAFCJX-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-10-13(11(2)23(5)20-10)6-7-22(4)17(24)15-9-18-8-14(15)16-19-12(3)21-25-16/h14-15,18H,6-9H2,1-5H3/t14-,15-/m1/s1.
What are the key properties of (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 91923283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).