2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole

C17H23N5O — CID 72917252

IUPAC2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole
SMILESc1cc(CN2CCCN(c3nnc(C4CCC4)o3)CC2)ccn1
InChIInChI=1S/C17H23N5O/c1-3-15(4-1)16-19-20-17(23-16)22-10-2-9-21(11-12-22)13-14-5-7-18-8-6-14/h5-8,15H,1-4,9-13H2
InChIKeyOLGKGHFAPDKXJZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.44
Rot. Bonds4

About 2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole

2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole (PubChem CID 72917252) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole
PubChem CID72917252
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole
SMILESc1cc(CN2CCCN(c3nnc(C4CCC4)o3)CC2)ccn1
InChIInChI=1S/C17H23N5O/c1-3-15(4-1)16-19-20-17(23-16)22-10-2-9-21(11-12-22)13-14-5-7-18-8-6-14/h5-8,15H,1-4,9-13H2
InChIKeyOLGKGHFAPDKXJZ-UHFFFAOYSA-N
XLogP2.44
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
2-(4-cyclohexyl-1,4-diazepan-1-yl)-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazole
CID 137335069
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 72898587
2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137575
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]azepane
CID 72884249
6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 173077858
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 166605105

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole (CID 72917252) is 2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole is c1cc(CN2CCCN(c3nnc(C4CCC4)o3)CC2)ccn1.
What is the InChIKey of 2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole?
The InChIKey is OLGKGHFAPDKXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-15(4-1)16-19-20-17(23-16)22-10-2-9-21(11-12-22)13-14-5-7-18-8-6-14/h5-8,15H,1-4,9-13H2.
What are the key properties of 2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole has a molecular weight of 313.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 72917252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).