1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine

C13H16ClN3O — CID 114028151

IUPAC1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1nnc(-c2ccc(Cl)cc2C)o1
InChIInChI=1S/C13H16ClN3O/c1-4-11(15-3)13-17-16-12(18-13)10-6-5-9(14)7-8(10)2/h5-7,11,15H,4H2,1-3H3
InChIKeyCTMOHGDHENHFPU-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.37
Rot. Bonds4

About 1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine

1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 114028151) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
PubChem CID114028151
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1nnc(-c2ccc(Cl)cc2C)o1
InChIInChI=1S/C13H16ClN3O/c1-4-11(15-3)13-17-16-12(18-13)10-6-5-9(14)7-8(10)2/h5-7,11,15H,4H2,1-3H3
InChIKeyCTMOHGDHENHFPU-UHFFFAOYSA-N
XLogP3.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (CID 114028151) is 1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is CCC(NC)c1nnc(-c2ccc(Cl)cc2C)o1.
What is the InChIKey of 1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is CTMOHGDHENHFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-4-11(15-3)13-17-16-12(18-13)10-6-5-9(14)7-8(10)2/h5-7,11,15H,4H2,1-3H3.
What are the key properties of 1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 265.74 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 114028151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).