N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine

C15H13ClN4O — CID 110456378

IUPACN-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(-c2nnc(NCc3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C15H13ClN4O/c1-10-3-2-4-13(18-10)14-19-20-15(21-14)17-9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H,17,20)
InChIKeyQCOOGTJBNJMUMO-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.71
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine

N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine (PubChem CID 110456378) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine
PubChem CID110456378
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(-c2nnc(NCc3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C15H13ClN4O/c1-10-3-2-4-13(18-10)14-19-20-15(21-14)17-9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H,17,20)
InChIKeyQCOOGTJBNJMUMO-UHFFFAOYSA-N
XLogP3.71
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine (CID 110456378) is N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine is Cc1cccc(-c2nnc(NCc3ccc(Cl)cc3)o2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is QCOOGTJBNJMUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-10-3-2-4-13(18-10)14-19-20-15(21-14)17-9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H,17,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine?
N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 300.75 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).