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

C11H13N3O2 — CID 62139034

IUPAC1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2cccc(OC)c2)o1
InChIInChI=1S/C11H13N3O2/c1-12-7-10-13-14-11(16-10)8-4-3-5-9(6-8)15-2/h3-6,12H,7H2,1-2H3
InChIKeySIEFCWOZMOCZOF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.46
Rot. Bonds4

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

1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 62139034) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID62139034
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2cccc(OC)c2)o1
InChIInChI=1S/C11H13N3O2/c1-12-7-10-13-14-11(16-10)8-4-3-5-9(6-8)15-2/h3-6,12H,7H2,1-2H3
InChIKeySIEFCWOZMOCZOF-UHFFFAOYSA-N
XLogP1.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62136683
4-tert-butyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652825
2-methoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652841
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-2-ylmethanamine
CID 110652764
2,6-dimethoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110320005
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 110652765
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
4-chloro-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylaniline
CID 110652833
2-(4-chlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 110652780
ethyl 2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-oxoacetate
CID 110320032
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110320059
3-(3-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 110408609

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 62139034) is 1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(-c2cccc(OC)c2)o1.
What is the InChIKey of 1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is SIEFCWOZMOCZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-12-7-10-13-14-11(16-10)8-4-3-5-9(6-8)15-2/h3-6,12H,7H2,1-2H3.
What are the key properties of 1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 219.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62139034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).