4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine

C15H23N5O — CID 65197707

IUPAC4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(c2nc(-c3cnn(C)c3)no2)CC1
InChIInChI=1S/C15H23N5O/c1-3-8-16-13-6-4-11(5-7-13)15-18-14(19-21-15)12-9-17-20(2)10-12/h9-11,13,16H,3-8H2,1-2H3
InChIKeyIXYQAUQZCQTXNG-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.50
Rot. Bonds5

About 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine

4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine (PubChem CID 65197707) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
PubChem CID65197707
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(c2nc(-c3cnn(C)c3)no2)CC1
InChIInChI=1S/C15H23N5O/c1-3-8-16-13-6-4-11(5-7-13)15-18-14(19-21-15)12-9-17-20(2)10-12/h9-11,13,16H,3-8H2,1-2H3
InChIKeyIXYQAUQZCQTXNG-UHFFFAOYSA-N
XLogP2.50
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 82887297
N-ethyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200652
N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347579
N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200574
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65198285
3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832492
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65196540
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 103988179
5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65196596
3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 65196042
(1R)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832488
2,2-dimethyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106525220

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine (CID 65197707) is 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine is CCCNC1CCC(c2nc(-c3cnn(C)c3)no2)CC1.
What is the InChIKey of 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
The InChIKey is IXYQAUQZCQTXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-8-16-13-6-4-11(5-7-13)15-18-14(19-21-15)12-9-17-20(2)10-12/h9-11,13,16H,3-8H2,1-2H3.
What are the key properties of 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 65197707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).