5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine

C9H15N3O2 — CID 125427182

IUPAC5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine
SMILESCO[C@H]1CCC[C@H](c2nnc(N)o2)C1
InChIInChI=1S/C9H15N3O2/c1-13-7-4-2-3-6(5-7)8-11-12-9(10)14-8/h6-7H,2-5H2,1H3,(H2,10,12)/t6-,7-/m0/s1
InChIKeyYBXHBTNUZDKOFH-BQBZGAKWSA-N
MW197.24 g/mol
LogP1.32
Rot. Bonds2

About 5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine

5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine (PubChem CID 125427182) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine
PubChem CID125427182
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine
SMILESCO[C@H]1CCC[C@H](c2nnc(N)o2)C1
InChIInChI=1S/C9H15N3O2/c1-13-7-4-2-3-6(5-7)8-11-12-9(10)14-8/h6-7H,2-5H2,1H3,(H2,10,12)/t6-,7-/m0/s1
InChIKeyYBXHBTNUZDKOFH-BQBZGAKWSA-N
XLogP1.32
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R,3R)-3-methylcyclopentyl]-1,3,4-oxadiazol-2-amine
CID 125427191
2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole
CID 131201326
2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 130621431
5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine
CID 103542519
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
4-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylpyrrolidin-2-one
CID 121207759
5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
CID 62213336
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62072169
5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine
CID 165458443
1-(3-methoxycyclohexyl)triazol-4-amine
CID 79542192
5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine
CID 123214622

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine (CID 125427182) is 5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine is CO[C@H]1CCC[C@H](c2nnc(N)o2)C1.
What is the InChIKey of 5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is YBXHBTNUZDKOFH-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-13-7-4-2-3-6(5-7)8-11-12-9(10)14-8/h6-7H,2-5H2,1H3,(H2,10,12)/t6-,7-/m0/s1.
What are the key properties of 5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine?
5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 197.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 125427182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).