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

C9H8ClN3O — CID 83884740

IUPAC5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C9H8ClN3O/c1-11-9-13-12-8(14-9)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,13)
InChIKeyVYMRHVDNJPQIND-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.43
Rot. Bonds2

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

5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 83884740) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID83884740
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C9H8ClN3O/c1-11-9-13-12-8(14-9)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,13)
InChIKeyVYMRHVDNJPQIND-UHFFFAOYSA-N
XLogP2.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 5154529
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 3412636
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 3342651
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362573
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597311
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 18576988
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 687082
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 5060857

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 83884740) is 5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine is CNc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is VYMRHVDNJPQIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-11-9-13-12-8(14-9)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,13).
What are the key properties of 5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 209.64 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 83884740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).