5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine

C16H22N4O2 — CID 167816014

IUPAC5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cncc(CNc2nnc(C3CCCCC3)o2)c1C
InChIInChI=1S/C16H22N4O2/c1-11-13(8-17-10-14(11)21-2)9-18-16-20-19-15(22-16)12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3,(H,18,20)
InChIKeyMANYXVAUQTZMLM-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.44
Rot. Bonds5

About 5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine

5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 167816014) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID167816014
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cncc(CNc2nnc(C3CCCCC3)o2)c1C
InChIInChI=1S/C16H22N4O2/c1-11-13(8-17-10-14(11)21-2)9-18-16-20-19-15(22-16)12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3,(H,18,20)
InChIKeyMANYXVAUQTZMLM-UHFFFAOYSA-N
XLogP3.44
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (CID 167816014) is 5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is COc1cncc(CNc2nnc(C3CCCCC3)o2)c1C.
What is the InChIKey of 5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is MANYXVAUQTZMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-13(8-17-10-14(11)21-2)9-18-16-20-19-15(22-16)12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3,(H,18,20).
What are the key properties of 5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 302.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167816014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).