N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

C16H30N4O — CID 106962236

IUPACN-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(N2CCCC(C(C)C)CC2)o1
InChIInChI=1S/C16H30N4O/c1-5-9-17-13(4)15-18-19-16(21-15)20-10-6-7-14(8-11-20)12(2)3/h12-14,17H,5-11H2,1-4H3
InChIKeySASXVBGSBKTUMY-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.39
Rot. Bonds6

About N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 106962236) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID106962236
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(N2CCCC(C(C)C)CC2)o1
InChIInChI=1S/C16H30N4O/c1-5-9-17-13(4)15-18-19-16(21-15)20-10-6-7-14(8-11-20)12(2)3/h12-14,17H,5-11H2,1-4H3
InChIKeySASXVBGSBKTUMY-UHFFFAOYSA-N
XLogP3.39
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine with MolForge

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Related Compounds

N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106961747
N-[1-[5-(3-propylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106964294
N-[1-[5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106962292
2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol
CID 106966016
1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 106967208
3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106965217
N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106967744
N-[[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967348
3-[1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 106960720
1-[5-(3,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106965329
N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106967595
N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960756

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 106962236) is N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(N2CCCC(C(C)C)CC2)o1.
What is the InChIKey of N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is SASXVBGSBKTUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-9-17-13(4)15-18-19-16(21-15)20-10-6-7-14(8-11-20)12(2)3/h12-14,17H,5-11H2,1-4H3.
What are the key properties of N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106962236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).