1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine

C10H14ClF2N3O — CID 104632823

IUPAC1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2noc(C(F)(F)Cl)n2)CC1
InChIInChI=1S/C10H14ClF2N3O/c1-6-2-4-9(14,5-3-6)7-15-8(17-16-7)10(11,12)13/h6H,2-5,14H2,1H3
InChIKeyUMVYEACLZIDVFO-UHFFFAOYSA-N
MW265.69 g/mol
LogP2.72
Rot. Bonds2

About 1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine

1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (PubChem CID 104632823) has the molecular formula C10H14ClF2N3O and a molecular weight of 265.69 g/mol. Its IUPAC name is 1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
PubChem CID104632823
Molecular FormulaC10H14ClF2N3O
Molecular Weight265.69 g/mol
Exact Mass265.08
IUPAC Name1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2noc(C(F)(F)Cl)n2)CC1
InChIInChI=1S/C10H14ClF2N3O/c1-6-2-4-9(14,5-3-6)7-15-8(17-16-7)10(11,12)13/h6H,2-5,14H2,1H3
InChIKeyUMVYEACLZIDVFO-UHFFFAOYSA-N
XLogP2.72
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354121
1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353321
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 91641536
4-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65085475
4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922588
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353317
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353118
1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 114753771
4-methyl-1-(5-octyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 65426791
1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104632814

Frequently Asked Questions

What is the IUPAC name of 1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (CID 104632823) is 1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is CC1CCC(N)(c2noc(C(F)(F)Cl)n2)CC1.
What is the InChIKey of 1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The InChIKey is UMVYEACLZIDVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2N3O/c1-6-2-4-9(14,5-3-6)7-15-8(17-16-7)10(11,12)13/h6H,2-5,14H2,1H3.
What are the key properties of 1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine has a molecular weight of 265.69 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 104632823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).