1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine

C12H14ClN3O — CID 63352599

IUPAC1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C12H14ClN3O/c1-3-14-8(2)12-15-11(16-17-12)9-6-4-5-7-10(9)13/h4-8,14H,3H2,1-2H3
InChIKeyFLEKVUFIXKBXSL-UHFFFAOYSA-N
MW251.72 g/mol
LogP3.06
Rot. Bonds4

About 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine

1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (PubChem CID 63352599) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
PubChem CID63352599
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C12H14ClN3O/c1-3-14-8(2)12-15-11(16-17-12)9-6-4-5-7-10(9)13/h4-8,14H,3H2,1-2H3
InChIKeyFLEKVUFIXKBXSL-UHFFFAOYSA-N
XLogP3.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 63352336
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101557
(1S)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565281
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222995
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539787
(1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 94352485
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101563
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 17101552
N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide
CID 92580919
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101554
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62099258
1-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63350444

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (CID 63352599) is 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is CCNC(C)c1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The InChIKey is FLEKVUFIXKBXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-14-8(2)12-15-11(16-17-12)9-6-4-5-7-10(9)13/h4-8,14H,3H2,1-2H3.
What are the key properties of 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine has a molecular weight of 251.72 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 63352599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).