1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol

C14H25N3O2 — CID 114338759

IUPAC1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol
SMILESCCc1nnc(CN2CCCCCC2CC(C)O)o1
InChIInChI=1S/C14H25N3O2/c1-3-13-15-16-14(19-13)10-17-8-6-4-5-7-12(17)9-11(2)18/h11-12,18H,3-10H2,1-2H3
InChIKeySCGCBEDGDOBOJE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.15
Rot. Bonds5

About 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol

1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol (PubChem CID 114338759) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol
PubChem CID114338759
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol
SMILESCCc1nnc(CN2CCCCCC2CC(C)O)o1
InChIInChI=1S/C14H25N3O2/c1-3-13-15-16-14(19-13)10-17-8-6-4-5-7-12(17)9-11(2)18/h11-12,18H,3-10H2,1-2H3
InChIKeySCGCBEDGDOBOJE-UHFFFAOYSA-N
XLogP2.15
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338025
2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 62020463
3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 55076080
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338946
1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338918
1-[1-[(5-bromo-2-pyridinyl)methyl]azepan-2-yl]propan-2-ol
CID 114338968
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338910
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091
1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338154
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
CID 114337983

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol (CID 114338759) is 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol is CCc1nnc(CN2CCCCCC2CC(C)O)o1.
What is the InChIKey of 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol?
The InChIKey is SCGCBEDGDOBOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-13-15-16-14(19-13)10-17-8-6-4-5-7-12(17)9-11(2)18/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol?
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol is sourced from PubChem (CID 114338759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).