(3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

C12H15N3O2 — CID 60874665

IUPAC(3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCOc1cccc(C(N)c2noc(C)n2)c1
InChIInChI=1S/C12H15N3O2/c1-3-16-10-6-4-5-9(7-10)11(13)12-14-8(2)17-15-12/h4-7,11H,3,13H2,1-2H3
InChIKeyGAAQVRLRSSXAIW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.82
Rot. Bonds4

About (3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

(3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 60874665) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID60874665
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCOc1cccc(C(N)c2noc(C)n2)c1
InChIInChI=1S/C12H15N3O2/c1-3-16-10-6-4-5-9(7-10)11(13)12-14-8(2)17-15-12/h4-7,11H,3,13H2,1-2H3
InChIKeyGAAQVRLRSSXAIW-UHFFFAOYSA-N
XLogP1.82
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine
CID 60874664
(5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine
CID 43559249
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156095
(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63975299
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 105022224
(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 107513083
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine
CID 43559879
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105394638

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (CID 60874665) is (3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is CCOc1cccc(C(N)c2noc(C)n2)c1.
What is the InChIKey of (3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is GAAQVRLRSSXAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-16-10-6-4-5-9(7-10)11(13)12-14-8(2)17-15-12/h4-7,11H,3,13H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
(3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 233.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 60874665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).