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

C14H21N5O — CID 61352719

IUPAC1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCc1nn(C)c(C)c1-c1nc(C2(N)CCCCC2)no1
InChIInChI=1S/C14H21N5O/c1-9-11(10(2)19(3)17-9)12-16-13(18-20-12)14(15)7-5-4-6-8-14/h4-8,15H2,1-3H3
InChIKeyUBYXWMXGJUYNPZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.21
Rot. Bonds2

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

1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 61352719) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID61352719
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCc1nn(C)c(C)c1-c1nc(C2(N)CCCCC2)no1
InChIInChI=1S/C14H21N5O/c1-9-11(10(2)19(3)17-9)12-16-13(18-20-12)14(15)7-5-4-6-8-14/h4-8,15H2,1-3H3
InChIKeyUBYXWMXGJUYNPZ-UHFFFAOYSA-N
XLogP2.21
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 61352719) is 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is Cc1nn(C)c(C)c1-c1nc(C2(N)CCCCC2)no1.
What is the InChIKey of 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is UBYXWMXGJUYNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-11(10(2)19(3)17-9)12-16-13(18-20-12)14(15)7-5-4-6-8-14/h4-8,15H2,1-3H3.
What are the key properties of 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 61352719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).