5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine

C15H12ClN3O2 — CID 106957175

IUPAC5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESClCc1nnc(Nc2cccc(Oc3ccccc3)c2)o1
InChIInChI=1S/C15H12ClN3O2/c16-10-14-18-19-15(21-14)17-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9H,10H2,(H,17,19)
InChIKeyGGCDCBBYMNGHTH-UHFFFAOYSA-N
MW301.73 g/mol
LogP4.34
Rot. Bonds5

About 5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106957175) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106957175
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESClCc1nnc(Nc2cccc(Oc3ccccc3)c2)o1
InChIInChI=1S/C15H12ClN3O2/c16-10-14-18-19-15(21-14)17-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9H,10H2,(H,17,19)
InChIKeyGGCDCBBYMNGHTH-UHFFFAOYSA-N
XLogP4.34
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-N-(3-ethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 106957194
N-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106956428
5-(chloromethyl)-N-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106957569
5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine
CID 106958159
5-(chloromethyl)-N-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106958967
5-(chloromethyl)-N-(4-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956485
5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 101347553
N-(2-bromo-5-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 107632717
5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 42624964
5-(chloromethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956629
4-(2-chlorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791971
N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 23636126

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 106957175) is 5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine is ClCc1nnc(Nc2cccc(Oc3ccccc3)c2)o1.
What is the InChIKey of 5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GGCDCBBYMNGHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-10-14-18-19-15(21-14)17-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9H,10H2,(H,17,19).
What are the key properties of 5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 301.73 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).