N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine

C12H19N3O2 — CID 116778285

IUPACN-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine
SMILESCOC1(c2noc(NC3CC3)n2)CCCCC1
InChIInChI=1S/C12H19N3O2/c1-16-12(7-3-2-4-8-12)10-14-11(17-15-10)13-9-5-6-9/h9H,2-8H2,1H3,(H,13,14,15)
InChIKeyPTBHLMFPGLYCTI-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.45
Rot. Bonds4

About N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine

N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine (PubChem CID 116778285) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine
PubChem CID116778285
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine
SMILESCOC1(c2noc(NC3CC3)n2)CCCCC1
InChIInChI=1S/C12H19N3O2/c1-16-12(7-3-2-4-8-12)10-14-11(17-15-10)13-9-5-6-9/h9H,2-8H2,1H3,(H,13,14,15)
InChIKeyPTBHLMFPGLYCTI-UHFFFAOYSA-N
XLogP2.45
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778277
N-cyclopropyl-3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778278
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 104609716
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116743243
3-(1-methoxycyclohexyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467146
1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116781217
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116743162
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116741632
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
CID 138005493
2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116743165

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine (CID 116778285) is N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine is COC1(c2noc(NC3CC3)n2)CCCCC1.
What is the InChIKey of N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is PTBHLMFPGLYCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-12(7-3-2-4-8-12)10-14-11(17-15-10)13-9-5-6-9/h9H,2-8H2,1H3,(H,13,14,15).
What are the key properties of N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine?
N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 237.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 116778285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).