4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine

C14H21N5O2 — CID 116742411

IUPAC4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
SMILESCOC1(c2noc(-c3cnn(C)c3N)n2)CCC(C)CC1
InChIInChI=1S/C14H21N5O2/c1-9-4-6-14(20-3,7-5-9)13-17-12(21-18-13)10-8-16-19(2)11(10)15/h8-9H,4-7,15H2,1-3H3
InChIKeyHERABOWGXLSKCU-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.10
Rot. Bonds3

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

4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine (PubChem CID 116742411) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
PubChem CID116742411
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
SMILESCOC1(c2noc(-c3cnn(C)c3N)n2)CCC(C)CC1
InChIInChI=1S/C14H21N5O2/c1-9-4-6-14(20-3,7-5-9)13-17-12(21-18-13)10-8-16-19(2)11(10)15/h8-9H,4-7,15H2,1-3H3
InChIKeyHERABOWGXLSKCU-UHFFFAOYSA-N
XLogP2.10
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine (CID 116742411) is 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine is COC1(c2noc(-c3cnn(C)c3N)n2)CCC(C)CC1.
What is the InChIKey of 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The InChIKey is HERABOWGXLSKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-9-4-6-14(20-3,7-5-9)13-17-12(21-18-13)10-8-16-19(2)11(10)15/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine has a molecular weight of 291.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 116742411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).