1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

C15H17N5O3 — CID 84600843

IUPAC1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCOc1cccc(-c2noc(C(C)NCc3noc(C)n3)n2)c1
InChIInChI=1S/C15H17N5O3/c1-9(16-8-13-17-10(2)22-19-13)15-18-14(20-23-15)11-5-4-6-12(7-11)21-3/h4-7,9,16H,8H2,1-3H3
InChIKeyFMNZFUFDEAUAQD-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.29
Rot. Bonds6

About 1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 84600843) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID84600843
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCOc1cccc(-c2noc(C(C)NCc3noc(C)n3)n2)c1
InChIInChI=1S/C15H17N5O3/c1-9(16-8-13-17-10(2)22-19-13)15-18-14(20-23-15)11-5-4-6-12(7-11)21-3/h4-7,9,16H,8H2,1-3H3
InChIKeyFMNZFUFDEAUAQD-UHFFFAOYSA-N
XLogP2.29
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine
CID 119160163
1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 75378276
1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-2-ylmethyl)ethanamine
CID 86789830
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 119153455
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
7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide
CID 119817246
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
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 62627840

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 84600843) is 1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is COc1cccc(-c2noc(C(C)NCc3noc(C)n3)n2)c1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is FMNZFUFDEAUAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-9(16-8-13-17-10(2)22-19-13)15-18-14(20-23-15)11-5-4-6-12(7-11)21-3/h4-7,9,16H,8H2,1-3H3.
What are the key properties of 1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 315.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 84600843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).