[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride

C15H21ClN4O — CID 120836940

IUPAC[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride
SMILESCl.NCC1(Cc2nc(-c3cccnc3)no2)CCCCC1
InChIInChI=1S/C15H20N4O.ClH/c16-11-15(6-2-1-3-7-15)9-13-18-14(19-20-13)12-5-4-8-17-10-12;/h4-5,8,10H,1-3,6-7,9,11,16H2;1H
InChIKeySNKDIVBFBBCHIB-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.01
Rot. Bonds4

About [1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride

[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride (PubChem CID 120836940) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is [1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride
PubChem CID120836940
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride
SMILESCl.NCC1(Cc2nc(-c3cccnc3)no2)CCCCC1
InChIInChI=1S/C15H20N4O.ClH/c16-11-15(6-2-1-3-7-15)9-13-18-14(19-20-13)12-5-4-8-17-10-12;/h4-5,8,10H,1-3,6-7,9,11,16H2;1H
InChIKeySNKDIVBFBBCHIB-UHFFFAOYSA-N
XLogP3.01
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride with MolForge

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Related Compounds

[1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 120838338
[1-[[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 120840626
5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine
CID 65417050
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
CID 119947949
[1-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81161823
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 82688928
3-pyridin-3-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120836941
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
[1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 107280261

Frequently Asked Questions

What is the IUPAC name of [1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride?
The IUPAC name of [1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride (CID 120836940) is [1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride?
The canonical SMILES for [1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride is Cl.NCC1(Cc2nc(-c3cccnc3)no2)CCCCC1.
What is the InChIKey of [1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride?
The InChIKey is SNKDIVBFBBCHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c16-11-15(6-2-1-3-7-15)9-13-18-14(19-20-13)12-5-4-8-17-10-12;/h4-5,8,10H,1-3,6-7,9,11,16H2;1H.
What are the key properties of [1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride?
[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride is sourced from PubChem (CID 120836940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).