2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine

C12H15N3O3 — CID 62069714

IUPAC2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCOc1cccc(-c2nnc(CCN)o2)c1OC
InChIInChI=1S/C12H15N3O3/c1-16-9-5-3-4-8(11(9)17-2)12-15-14-10(18-12)6-7-13/h3-5H,6-7,13H2,1-2H3
InChIKeyBVPGQIGOTGRPAP-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.25
Rot. Bonds5

About 2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine

2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62069714) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62069714
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCOc1cccc(-c2nnc(CCN)o2)c1OC
InChIInChI=1S/C12H15N3O3/c1-16-9-5-3-4-8(11(9)17-2)12-15-14-10(18-12)6-7-13/h3-5H,6-7,13H2,1-2H3
InChIKeyBVPGQIGOTGRPAP-UHFFFAOYSA-N
XLogP1.25
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070228
2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 69173807
2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069887
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 86790719
3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 105064429
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970851
3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
CID 113452620
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
2-(2,3-dimethoxyphenyl)-4-ethyl-1,3-oxazole
CID 144909946
[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82475517

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62069714) is 2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is COc1cccc(-c2nnc(CCN)o2)c1OC.
What is the InChIKey of 2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is BVPGQIGOTGRPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-16-9-5-3-4-8(11(9)17-2)12-15-14-10(18-12)6-7-13/h3-5H,6-7,13H2,1-2H3.
What are the key properties of 2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 249.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62069714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).