4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine

C16H23N3O3 — CID 119160163

IUPAC4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine
SMILESCOCCC(C)NC(C)c1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C16H23N3O3/c1-11(8-9-20-3)17-12(2)16-18-15(19-22-16)13-6-5-7-14(10-13)21-4/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeyHHTPEZVJALORIZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.82
Rot. Bonds8

About 4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine

4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine (PubChem CID 119160163) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine
PubChem CID119160163
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine
SMILESCOCCC(C)NC(C)c1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C16H23N3O3/c1-11(8-9-20-3)17-12(2)16-18-15(19-22-16)13-6-5-7-14(10-13)21-4/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeyHHTPEZVJALORIZ-UHFFFAOYSA-N
XLogP2.82
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 119138645
1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 84600843
1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-2-ylmethyl)ethanamine
CID 86789830
3-(3-methoxyphenyl)-5-[(1R)-1-phenoxyethyl]-1,2,4-oxadiazole
CID 7356906
(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride
CID 119342829
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 119153455
7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide
CID 119817246
3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
CID 46342240
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 7385204
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
CID 83288304
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
(2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 120796164

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine (CID 119160163) is 4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine is COCCC(C)NC(C)c1nc(-c2cccc(OC)c2)no1.
What is the InChIKey of 4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine?
The InChIKey is HHTPEZVJALORIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(8-9-20-3)17-12(2)16-18-15(19-22-16)13-6-5-7-14(10-13)21-4/h5-7,10-12,17H,8-9H2,1-4H3.
What are the key properties of 4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine?
4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine has a molecular weight of 305.38 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine is sourced from PubChem (CID 119160163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).