3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

C12H21N3O — CID 62595230

IUPAC3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC1CCCC(c2noc(NC(C)C)n2)C1
InChIInChI=1S/C12H21N3O/c1-8(2)13-12-14-11(15-16-12)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyIPVJUSGRAGCZOT-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.18
Rot. Bonds3

About 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 62595230) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID62595230
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC1CCCC(c2noc(NC(C)C)n2)C1
InChIInChI=1S/C12H21N3O/c1-8(2)13-12-14-11(15-16-12)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyIPVJUSGRAGCZOT-UHFFFAOYSA-N
XLogP3.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine
CID 65413630
3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55201062
N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350541
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540163
N-ethyl-3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350269
2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63560469
3-(3-methylcyclohexyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900508
(1S)-2-amino-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107836809
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63350270
1-cyclopropyl-N-ethyl-2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63350007
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 55116401
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201365

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 62595230) is 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is CC1CCCC(c2noc(NC(C)C)n2)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is IPVJUSGRAGCZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)13-12-14-11(15-16-12)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 223.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62595230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).