[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine

C16H14ClN3O — CID 62071995

IUPAC[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine
SMILESNC(c1ccccc1)c1nnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C16H14ClN3O/c17-13-9-5-4-8-12(13)10-14-19-20-16(21-14)15(18)11-6-2-1-3-7-11/h1-9,15H,10,18H2
InChIKeyGUZNKZVJUHTHCM-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.36
Rot. Bonds4

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

[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine (PubChem CID 62071995) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is [5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine.

Molecular Properties

Compound Name[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine
PubChem CID62071995
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine
SMILESNC(c1ccccc1)c1nnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C16H14ClN3O/c17-13-9-5-4-8-12(13)10-14-19-20-16(21-14)15(18)11-6-2-1-3-7-11/h1-9,15H,10,18H2
InChIKeyGUZNKZVJUHTHCM-UHFFFAOYSA-N
XLogP3.36
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071471
N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 55039546
N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137769
(1S)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 663074
phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55143116
[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine
CID 114822833
1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol
CID 115086793
5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431940
5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 110456355
1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164268
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62163381
1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylbutan-1-amine
CID 3464937

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine?
The IUPAC name of [5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine (CID 62071995) is [5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine.
What is the SMILES notation for [5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine?
The canonical SMILES for [5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine is NC(c1ccccc1)c1nnc(Cc2ccccc2Cl)o1.
What is the InChIKey of [5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine?
The InChIKey is GUZNKZVJUHTHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-9-5-4-8-12(13)10-14-19-20-16(21-14)15(18)11-6-2-1-3-7-11/h1-9,15H,10,18H2.
What are the key properties of [5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine?
[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine has a molecular weight of 299.76 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine is sourced from PubChem (CID 62071995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).