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

C11H13N3O2 — CID 60874664

IUPAC(3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine
SMILESCCOc1cccc(C(N)c2ncon2)c1
InChIInChI=1S/C11H13N3O2/c1-2-15-9-5-3-4-8(6-9)10(12)11-13-7-16-14-11/h3-7,10H,2,12H2,1H3
InChIKeyHZOAWBDXNPCZRD-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.52
Rot. Bonds4

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

(3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 60874664) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine
PubChem CID60874664
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine
SMILESCCOc1cccc(C(N)c2ncon2)c1
InChIInChI=1S/C11H13N3O2/c1-2-15-9-5-3-4-8(6-9)10(12)11-13-7-16-14-11/h3-7,10H,2,12H2,1H3
InChIKeyHZOAWBDXNPCZRD-UHFFFAOYSA-N
XLogP1.52
TPSA74.17 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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 60874665
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156095
(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63975299
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
(3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729975
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine (CID 60874664) is (3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine is CCOc1cccc(C(N)c2ncon2)c1.
What is the InChIKey of (3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is HZOAWBDXNPCZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-15-9-5-3-4-8(6-9)10(12)11-13-7-16-14-11/h3-7,10H,2,12H2,1H3.
What are the key properties of (3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine?
(3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 219.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 60874664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).