5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine

C9H8Cl2N4O — CID 106966767

IUPAC5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C9H8Cl2N4O/c10-6-2-1-5(3-7(6)11)13-9-15-14-8(4-12)16-9/h1-3H,4,12H2,(H,13,15)
InChIKeyMVWSOFAERQHHLN-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.58
Rot. Bonds3

About 5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106966767) has the molecular formula C9H8Cl2N4O and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106966767
Molecular FormulaC9H8Cl2N4O
Molecular Weight259.10 g/mol
Exact Mass258.01
IUPAC Name5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C9H8Cl2N4O/c10-6-2-1-5(3-7(6)11)13-9-15-14-8(4-12)16-9/h1-3H,4,12H2,(H,13,15)
InChIKeyMVWSOFAERQHHLN-UHFFFAOYSA-N
XLogP2.58
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 23636126
5-(aminomethyl)-N-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106966677
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 114003802
4-[2-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]cyclohex-3-en-1-one
CID 123975937
5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 101347553
5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106964549
5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106964774
N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966235
N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966341
5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968307
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 102630188
5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 114209258

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine (CID 106966767) is 5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine is NCc1nnc(Nc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MVWSOFAERQHHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O/c10-6-2-1-5(3-7(6)11)13-9-15-14-8(4-12)16-9/h1-3H,4,12H2,(H,13,15).
What are the key properties of 5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 259.10 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).