(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride

C11H14ClN3O — CID 146064560

IUPAC(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
SMILESCCc1noc(C(N)c2ccccc2)n1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-2-9-13-11(15-14-9)10(12)8-6-4-3-5-7-8;/h3-7,10H,2,12H2,1H3;1H
InChIKeyWVXDJQSIUVQCRN-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.10
Rot. Bonds3

About (3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride

(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride (PubChem CID 146064560) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is (3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride.

Molecular Properties

Compound Name(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
PubChem CID146064560
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
SMILESCCc1noc(C(N)c2ccccc2)n1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-2-9-13-11(15-14-9)10(12)8-6-4-3-5-7-8;/h3-7,10H,2,12H2,1H3;1H
InChIKeyWVXDJQSIUVQCRN-UHFFFAOYSA-N
XLogP2.10
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
CID 29272835
phenyl-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65129508
(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898615
(R)-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898781
phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 62551887
(S)-phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 104898633
(S)-phenyl-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 28538355
(S)-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898638
phenyl-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 103472421
[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116701976
(R)-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898673
[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116703136

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride?
The IUPAC name of (3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride (CID 146064560) is (3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride.
What is the SMILES notation for (3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride?
The canonical SMILES for (3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride is CCc1noc(C(N)c2ccccc2)n1.Cl.
What is the InChIKey of (3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride?
The InChIKey is WVXDJQSIUVQCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c1-2-9-13-11(15-14-9)10(12)8-6-4-3-5-7-8;/h3-7,10H,2,12H2,1H3;1H.
What are the key properties of (3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride?
(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride is sourced from PubChem (CID 146064560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).