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

C13H23N3O2 — CID 63952195

IUPACN-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCNCCCc1nnc(CCC2CCCCO2)o1
InChIInChI=1S/C13H23N3O2/c1-14-9-4-6-12-15-16-13(18-12)8-7-11-5-2-3-10-17-11/h11,14H,2-10H2,1H3
InChIKeyVKNFHUYWBRHOEG-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.72
Rot. Bonds7

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

N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 63952195) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID63952195
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCNCCCc1nnc(CCC2CCCCO2)o1
InChIInChI=1S/C13H23N3O2/c1-14-9-4-6-12-15-16-13(18-12)8-7-11-5-2-3-10-17-11/h11,14H,2-10H2,1H3
InChIKeyVKNFHUYWBRHOEG-UHFFFAOYSA-N
XLogP1.72
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole
CID 114771865
N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 65159274
N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078241
(E)-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81252731
(E)-3-[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81256992
3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187218
N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42414995
N-ethyl-2-[5-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65159948
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62139278
N-methyl-3-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090865
N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62139451

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 63952195) is N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine is CNCCCc1nnc(CCC2CCCCO2)o1.
What is the InChIKey of N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is VKNFHUYWBRHOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-14-9-4-6-12-15-16-13(18-12)8-7-11-5-2-3-10-17-11/h11,14H,2-10H2,1H3.
What are the key properties of N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 63952195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).