3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C12H18N6O — CID 95293109

IUPAC3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(CN2CCC[C@@H]2Cn2cncn2)n1
InChIInChI=1S/C12H18N6O/c1-2-11-15-12(19-16-11)7-17-5-3-4-10(17)6-18-9-13-8-14-18/h8-10H,2-7H2,1H3/t10-/m1/s1
InChIKeyRVWKDWSMHZSBGJ-SNVBAGLBSA-N
MW262.32 g/mol
LogP0.89
Rot. Bonds5

About 3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 95293109) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID95293109
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(CN2CCC[C@@H]2Cn2cncn2)n1
InChIInChI=1S/C12H18N6O/c1-2-11-15-12(19-16-11)7-17-5-3-4-10(17)6-18-9-13-8-14-18/h8-10H,2-7H2,1H3/t10-/m1/s1
InChIKeyRVWKDWSMHZSBGJ-SNVBAGLBSA-N
XLogP0.89
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-cyclopropyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95308426
5-cyclopropyl-3-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95302421
3-(2-methylphenyl)-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95307782
3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95305735
5-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 95349314
3-(furan-3-yl)-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56802734
3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313170
3-(2-methoxyethyl)-5-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609671
2-benzyl-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95290139
2-methyl-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95291938
3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95323445
5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 95290133

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 95293109) is 3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is CCc1noc(CN2CCC[C@@H]2Cn2cncn2)n1.
What is the InChIKey of 3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is RVWKDWSMHZSBGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N6O/c1-2-11-15-12(19-16-11)7-17-5-3-4-10(17)6-18-9-13-8-14-18/h8-10H,2-7H2,1H3/t10-/m1/s1.
What are the key properties of 3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 262.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95293109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).