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

C10H10Cl2N4O — CID 106964774

IUPAC5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(Cl)c(Nc2nnc(CN)o2)cc1Cl
InChIInChI=1S/C10H10Cl2N4O/c1-5-2-7(12)8(3-6(5)11)14-10-16-15-9(4-13)17-10/h2-3H,4,13H2,1H3,(H,14,16)
InChIKeyNUCAFVQVBDNXKC-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.89
Rot. Bonds3

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

5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964774) has the molecular formula C10H10Cl2N4O and a molecular weight of 273.12 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106964774
Molecular FormulaC10H10Cl2N4O
Molecular Weight273.12 g/mol
Exact Mass272.02
IUPAC Name5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(Cl)c(Nc2nnc(CN)o2)cc1Cl
InChIInChI=1S/C10H10Cl2N4O/c1-5-2-7(12)8(3-6(5)11)14-10-16-15-9(4-13)17-10/h2-3H,4,13H2,1H3,(H,14,16)
InChIKeyNUCAFVQVBDNXKC-UHFFFAOYSA-N
XLogP2.89
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 106964774) is 5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1cc(Cl)c(Nc2nnc(CN)o2)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NUCAFVQVBDNXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O/c1-5-2-7(12)8(3-6(5)11)14-10-16-15-9(4-13)17-10/h2-3H,4,13H2,1H3,(H,14,16).
What are the key properties of 5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 273.12 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).