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

C13H23N3O2 — CID 114241677

IUPACN-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(C2CCOCC2C)o1
InChIInChI=1S/C13H23N3O2/c1-9(2)14-6-4-12-15-16-13(18-12)11-5-7-17-8-10(11)3/h9-11,14H,4-8H2,1-3H3
InChIKeyYVSMKLFJCHPGBK-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.75
Rot. Bonds5

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

N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 114241677) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
PubChem CID114241677
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(C2CCOCC2C)o1
InChIInChI=1S/C13H23N3O2/c1-9(2)14-6-4-12-15-16-13(18-12)11-5-7-17-8-10(11)3/h9-11,14H,4-8H2,1-3H3
InChIKeyYVSMKLFJCHPGBK-UHFFFAOYSA-N
XLogP1.75
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55151254
N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 114241670
N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 107003049
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 107183179
N-[2-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 64905825
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138936
N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164844
3-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107183207
N-[2-[5-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 79205741
3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138939
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62139278
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (CID 114241677) is N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1nnc(C2CCOCC2C)o1.
What is the InChIKey of N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is YVSMKLFJCHPGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)14-6-4-12-15-16-13(18-12)11-5-7-17-8-10(11)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 114241677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).