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

C14H19N3O2 — CID 55123732

IUPACN-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nc(CCOc2ccccc2)no1
InChIInChI=1S/C14H19N3O2/c1-14(2,15-3)13-16-12(17-19-13)9-10-18-11-7-5-4-6-8-11/h4-8,15H,9-10H2,1-3H3
InChIKeyAEUWENGHNKMUKS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.15
Rot. Bonds6

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

N-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 55123732) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID55123732
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nc(CCOc2ccccc2)no1
InChIInChI=1S/C14H19N3O2/c1-14(2,15-3)13-16-12(17-19-13)9-10-18-11-7-5-4-6-8-11/h4-8,15H,9-10H2,1-3H3
InChIKeyAEUWENGHNKMUKS-UHFFFAOYSA-N
XLogP2.15
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-3-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65261860
N-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55124024
2-methyl-4-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62049822
2-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 55123446
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine
CID 79404772
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 63891484
5-(1-chloroethyl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 43150191
3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 29045231
3-methyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 43108787
1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 43470343
N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62818341
1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 103146221

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 55123732) is N-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CNC(C)(C)c1nc(CCOc2ccccc2)no1.
What is the InChIKey of N-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is AEUWENGHNKMUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,15-3)13-16-12(17-19-13)9-10-18-11-7-5-4-6-8-11/h4-8,15H,9-10H2,1-3H3.
What are the key properties of N-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 55123732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).