3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole

C16H16N4O2 — CID 97072785

IUPAC3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCc1nc(Cc2noc([C@@H]3C[C@@H]3c3ccccc3C)n2)no1
InChIInChI=1S/C16H16N4O2/c1-9-5-3-4-6-11(9)12-7-13(12)16-18-15(20-22-16)8-14-17-10(2)21-19-14/h3-6,12-13H,7-8H2,1-2H3/t12-,13-/m1/s1
InChIKeyANKINOKOUJNBKX-CHWSQXEVSA-N
MW296.33 g/mol
LogP2.93
Rot. Bonds4

About 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 97072785) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID97072785
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCc1nc(Cc2noc([C@@H]3C[C@@H]3c3ccccc3C)n2)no1
InChIInChI=1S/C16H16N4O2/c1-9-5-3-4-6-11(9)12-7-13(12)16-18-15(20-22-16)8-14-17-10(2)21-19-14/h3-6,12-13H,7-8H2,1-2H3/t12-,13-/m1/s1
InChIKeyANKINOKOUJNBKX-CHWSQXEVSA-N
XLogP2.93
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-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-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 99838182
3-[[5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 166235865
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 167874709
N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866577
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350963
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63351048
N-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350657
5-(2-methylcyclopropyl)-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole
CID 119033967
2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523633
N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine
CID 94558305
5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole
CID 100691260
2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 95899316

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole (CID 97072785) is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole is Cc1nc(Cc2noc([C@@H]3C[C@@H]3c3ccccc3C)n2)no1.
What is the InChIKey of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is ANKINOKOUJNBKX-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-9-5-3-4-6-11(9)12-7-13(12)16-18-15(20-22-16)8-14-17-10(2)21-19-14/h3-6,12-13H,7-8H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole?
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 296.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97072785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).