4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C14H21N5O — CID 65196006

IUPAC4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(-c3ccn(C)n3)no2)CC1
InChIInChI=1S/C14H21N5O/c1-3-10-4-7-14(15,8-5-10)13-16-12(18-20-13)11-6-9-19(2)17-11/h6,9-10H,3-5,7-8,15H2,1-2H3
InChIKeyHBVCVMNQOMQTSA-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.22
Rot. Bonds3

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

4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 65196006) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID65196006
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(-c3ccn(C)n3)no2)CC1
InChIInChI=1S/C14H21N5O/c1-3-10-4-7-14(15,8-5-10)13-16-12(18-20-13)11-6-9-19(2)17-11/h6,9-10H,3-5,7-8,15H2,1-2H3
InChIKeyHBVCVMNQOMQTSA-UHFFFAOYSA-N
XLogP2.22
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 65196006) is 4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CCC1CCC(N)(c2nc(-c3ccn(C)n3)no2)CC1.
What is the InChIKey of 4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is HBVCVMNQOMQTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-10-4-7-14(15,8-5-10)13-16-12(18-20-13)11-6-9-19(2)17-11/h6,9-10H,3-5,7-8,15H2,1-2H3.
What are the key properties of 4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 65196006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).