5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C15H23N7O2 — CID 128982747

IUPAC5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2nc(N(C)C)no2)C1
InChIInChI=1S/C15H23N7O2/c1-21(2)15-16-12(24-20-15)8-22-7-10(23-3)6-11(22)14-17-13(18-19-14)9-4-5-9/h9-11H,4-8H2,1-3H3,(H,17,18,19)/t10-,11+/m1/s1
InChIKeyRCFSQUPIVXUPCY-MNOVXSKESA-N
MW333.40 g/mol
LogP1.09
Rot. Bonds6

About 5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 128982747) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID128982747
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2nc(N(C)C)no2)C1
InChIInChI=1S/C15H23N7O2/c1-21(2)15-16-12(24-20-15)8-22-7-10(23-3)6-11(22)14-17-13(18-19-14)9-4-5-9/h9-11H,4-8H2,1-3H3,(H,17,18,19)/t10-,11+/m1/s1
InChIKeyRCFSQUPIVXUPCY-MNOVXSKESA-N
XLogP1.09
TPSA96.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 128982818
2-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 128982813
3-cyclopropyl-5-[(2S,4R)-4-methoxy-1-(2-methoxyethyl)pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128982749
1-[2-[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]ethyl]-4-methylpiperidine
CID 128982880
3-cyclopropyl-5-[(2S,4R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128982778
3-cyclopropyl-5-[(2S,4R)-4-methoxy-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 154757080
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 128985237
3-cyclopentyl-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128989830
(2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide
CID 120963198
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(3-methylpyridazin-4-yl)methanone
CID 128985153
5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128965007
(3S,5R)-5-(3,4-difluorophenyl)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 129345950

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 128982747) is 5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2nc(N(C)C)no2)C1.
What is the InChIKey of 5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is RCFSQUPIVXUPCY-MNOVXSKESA-N. The full InChI is InChI=1S/C15H23N7O2/c1-21(2)15-16-12(24-20-15)8-22-7-10(23-3)6-11(22)14-17-13(18-19-14)9-4-5-9/h9-11H,4-8H2,1-3H3,(H,17,18,19)/t10-,11+/m1/s1.
What are the key properties of 5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 333.40 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 128982747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).