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

C15H12ClN3O — CID 46342023

IUPACN-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESClc1cccc(CNc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C15H12ClN3O/c16-13-8-4-5-11(9-13)10-17-15-18-14(19-20-15)12-6-2-1-3-7-12/h1-9H,10H2,(H,17,18,19)
InChIKeyKVGNJCNTDFNMFF-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.00
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine (PubChem CID 46342023) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
PubChem CID46342023
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC NameN-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESClc1cccc(CNc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C15H12ClN3O/c16-13-8-4-5-11(9-13)10-17-15-18-14(19-20-15)12-6-2-1-3-7-12/h1-9H,10H2,(H,17,18,19)
InChIKeyKVGNJCNTDFNMFF-UHFFFAOYSA-N
XLogP4.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine (CID 46342023) is N-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine is Clc1cccc(CNc2nc(-c3ccccc3)no2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
The InChIKey is KVGNJCNTDFNMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-13-8-4-5-11(9-13)10-17-15-18-14(19-20-15)12-6-2-1-3-7-12/h1-9H,10H2,(H,17,18,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
N-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine has a molecular weight of 285.73 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).