3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole

C15H22N6O2 — CID 128982818

IUPAC3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(CN2C[C@H](OC)C[C@H]2c2nc(C3CC3)n[nH]2)no1
InChIInChI=1S/C15H22N6O2/c1-3-13-16-12(20-23-13)8-21-7-10(22-2)6-11(21)15-17-14(18-19-15)9-4-5-9/h9-11H,3-8H2,1-2H3,(H,17,18,19)/t10-,11+/m1/s1
InChIKeyODXXSEPKWYNCEQ-MNOVXSKESA-N
MW318.38 g/mol
LogP1.59
Rot. Bonds6

About 3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole

3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 128982818) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
PubChem CID128982818
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(CN2C[C@H](OC)C[C@H]2c2nc(C3CC3)n[nH]2)no1
InChIInChI=1S/C15H22N6O2/c1-3-13-16-12(20-23-13)8-21-7-10(22-2)6-11(21)15-17-14(18-19-15)9-4-5-9/h9-11H,3-8H2,1-2H3,(H,17,18,19)/t10-,11+/m1/s1
InChIKeyODXXSEPKWYNCEQ-MNOVXSKESA-N
XLogP1.59
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole with MolForge

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Related Compounds

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
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
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
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)-4-methoxy-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 154757080
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
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 128985237
3-[(2R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137242417
5-ethyl-3-[[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95773456
5-ethyl-3-[[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95773457
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(3-methylpyridazin-4-yl)methanone
CID 128985153

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 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) is 3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole is CCc1nc(CN2C[C@H](OC)C[C@H]2c2nc(C3CC3)n[nH]2)no1.
What is the InChIKey of 3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is ODXXSEPKWYNCEQ-MNOVXSKESA-N. The full InChI is InChI=1S/C15H22N6O2/c1-3-13-16-12(20-23-13)8-21-7-10(22-2)6-11(21)15-17-14(18-19-15)9-4-5-9/h9-11H,3-8H2,1-2H3,(H,17,18,19)/t10-,11+/m1/s1.
What are the key properties of 3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 318.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 128982818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).