5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole

C15H26N4O — CID 64950734

IUPAC5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCCNC(C3CCCCC3)C2)n1
InChIInChI=1S/C15H26N4O/c1-12-17-15(20-18-12)11-19-9-5-8-16-14(10-19)13-6-3-2-4-7-13/h13-14,16H,2-11H2,1H3
InChIKeyIVDBWBTXKUVHEC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.12
Rot. Bonds3

About 5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole

5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 64950734) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID64950734
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCCNC(C3CCCCC3)C2)n1
InChIInChI=1S/C15H26N4O/c1-12-17-15(20-18-12)11-19-9-5-8-16-14(10-19)13-6-3-2-4-7-13/h13-14,16H,2-11H2,1H3
InChIKeyIVDBWBTXKUVHEC-UHFFFAOYSA-N
XLogP2.12
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 124803938
5-(3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-2-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 79925675
3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole
CID 106408595
3-butyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 60978301
3-cyclohexyl-1-(2-methyl-3-methylsulfanylpropyl)-1,4-diazepane
CID 64950416
3-cyclohexyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane
CID 64870713
3-cyclopropyl-1-(2-methylbutyl)-1,4-diazepane
CID 64871916
3-cyclohexyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871313
4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 64949220
2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376781
methyl (3S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038427
5-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 95334783

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole (CID 64950734) is 5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(CN2CCCNC(C3CCCCC3)C2)n1.
What is the InChIKey of 5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is IVDBWBTXKUVHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-17-15(20-18-12)11-19-9-5-8-16-14(10-19)13-6-3-2-4-7-13/h13-14,16H,2-11H2,1H3.
What are the key properties of 5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole?
5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 64950734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).