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

C16H20ClN3O — CID 63349919

IUPAC2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(Cc1nc(Cc2ccccc2Cl)no1)C1CC1
InChIInChI=1S/C16H20ClN3O/c1-2-18-14(11-7-8-11)10-16-19-15(20-21-16)9-12-5-3-4-6-13(12)17/h3-6,11,14,18H,2,7-10H2,1H3
InChIKeyGLKARMYHPCKNQC-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.24
Rot. Bonds7

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

2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine (PubChem CID 63349919) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
PubChem CID63349919
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(Cc1nc(Cc2ccccc2Cl)no1)C1CC1
InChIInChI=1S/C16H20ClN3O/c1-2-18-14(11-7-8-11)10-16-19-15(20-21-16)9-12-5-3-4-6-13(12)17/h3-6,11,14,18H,2,7-10H2,1H3
InChIKeyGLKARMYHPCKNQC-UHFFFAOYSA-N
XLogP3.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine (CID 63349919) is 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine is CCNC(Cc1nc(Cc2ccccc2Cl)no1)C1CC1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine?
The InChIKey is GLKARMYHPCKNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-2-18-14(11-7-8-11)10-16-19-15(20-21-16)9-12-5-3-4-6-13(12)17/h3-6,11,14,18H,2,7-10H2,1H3.
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine?
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine has a molecular weight of 305.81 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 63349919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).