3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole

C14H18N4O — CID 136572074

IUPAC3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1noc(CCc2cnccn2)n1)C1(C)CC1
InChIInChI=1S/C14H18N4O/c1-10(14(2)5-6-14)13-17-12(19-18-13)4-3-11-9-15-7-8-16-11/h7-10H,3-6H2,1-2H3
InChIKeyMWSVLQWWYYBWKI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.55
Rot. Bonds5

About 3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole

3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole (PubChem CID 136572074) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole
PubChem CID136572074
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1noc(CCc2cnccn2)n1)C1(C)CC1
InChIInChI=1S/C14H18N4O/c1-10(14(2)5-6-14)13-17-12(19-18-13)4-3-11-9-15-7-8-16-11/h7-10H,3-6H2,1-2H3
InChIKeyMWSVLQWWYYBWKI-UHFFFAOYSA-N
XLogP2.55
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 125021467
N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924068
2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine
CID 160532833
3-propan-2-yl-5-[1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 43061960
3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 35017329
2-[2-(4-methylphenyl)ethyl]pyrazine
CID 141390825
3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine
CID 91648217
2-[(1-fluorocyclohexyl)methyl]pyrazine
CID 170152058
5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 129255475
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 80502975
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 47029635

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole (CID 136572074) is 3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole is CC(c1noc(CCc2cnccn2)n1)C1(C)CC1.
What is the InChIKey of 3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole?
The InChIKey is MWSVLQWWYYBWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(14(2)5-6-14)13-17-12(19-18-13)4-3-11-9-15-7-8-16-11/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole?
3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylcyclopropyl)ethyl]-5-(2-pyrazin-2-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 136572074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).