3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole

C14H24N4O — CID 106408595

IUPAC3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1nc(CN2CCCNC(C3CCCCC3)C2)no1
InChIInChI=1S/C14H24N4O/c1-2-5-12(6-3-1)13-9-18(8-4-7-15-13)10-14-16-11-19-17-14/h11-13,15H,1-10H2
InChIKeyXXZLIPHJJSQWRP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.81
Rot. Bonds3

About 3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole

3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 106408595) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID106408595
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1nc(CN2CCCNC(C3CCCCC3)C2)no1
InChIInChI=1S/C14H24N4O/c1-2-5-12(6-3-1)13-9-18(8-4-7-15-13)10-14-16-11-19-17-14/h11-13,15H,1-10H2
InChIKeyXXZLIPHJJSQWRP-UHFFFAOYSA-N
XLogP1.81
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 114185214
5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
CID 64950734
3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408641
3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408900
4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 64949220
N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]formamide
CID 123875795
3-cyclohexyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane
CID 64870713
3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81173891
3-[(3-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408712
5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644805
(3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol
CID 115278433
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870330

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole (CID 106408595) is 3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole is c1nc(CN2CCCNC(C3CCCCC3)C2)no1.
What is the InChIKey of 3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is XXZLIPHJJSQWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-5-12(6-3-1)13-9-18(8-4-7-15-13)10-14-16-11-19-17-14/h11-13,15H,1-10H2.
What are the key properties of 3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole?
3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 264.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106408595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).