2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole

C19H27N5O — CID 137335069

IUPAC2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole
SMILESc1cc(Cc2nnc(N3CCCN(C4CCCCC4)CC3)o2)ccn1
InChIInChI=1S/C19H27N5O/c1-2-5-17(6-3-1)23-11-4-12-24(14-13-23)19-22-21-18(25-19)15-16-7-9-20-10-8-16/h7-10,17H,1-6,11-15H2
InChIKeyCXEHASUMHQRDBF-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.90
Rot. Bonds4

About 2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole

2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole (PubChem CID 137335069) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole
PubChem CID137335069
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole
SMILESc1cc(Cc2nnc(N3CCCN(C4CCCCC4)CC3)o2)ccn1
InChIInChI=1S/C19H27N5O/c1-2-5-17(6-3-1)23-11-4-12-24(14-13-23)19-22-21-18(25-19)15-16-7-9-20-10-8-16/h7-10,17H,1-6,11-15H2
InChIKeyCXEHASUMHQRDBF-UHFFFAOYSA-N
XLogP2.90
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole
CID 72917252
2-(2-pyridin-4-ylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162078
2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 86112469
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299
2-(pyridin-4-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79006212
4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113104600
2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole
CID 137337107
N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106962939
1-cyclohexylazocane
CID 23151203
1-cyclooctylpiperidine
CID 89210756
1-cyclooctylpyrrolidine
CID 23277874
1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane
CID 154742612

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole (CID 137335069) is 2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole is c1cc(Cc2nnc(N3CCCN(C4CCCCC4)CC3)o2)ccn1.
What is the InChIKey of 2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is CXEHASUMHQRDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-5-17(6-3-1)23-11-4-12-24(14-13-23)19-22-21-18(25-19)15-16-7-9-20-10-8-16/h7-10,17H,1-6,11-15H2.
What are the key properties of 2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole?
2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 341.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 137335069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).