N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine

C13H17N3O — CID 62138841

IUPACN-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C13H17N3O/c1-9(2)10-4-6-11(7-5-10)13-16-15-12(17-13)8-14-3/h4-7,9,14H,8H2,1-3H3
InChIKeyXWLXSBWBPMYMBN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.58
Rot. Bonds4

About N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine

N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 62138841) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID62138841
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C13H17N3O/c1-9(2)10-4-6-11(7-5-10)13-16-15-12(17-13)8-14-3/h4-7,9,14H,8H2,1-3H3
InChIKeyXWLXSBWBPMYMBN-UHFFFAOYSA-N
XLogP2.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 62138841) is N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine is CNCc1nnc(-c2ccc(C(C)C)cc2)o1.
What is the InChIKey of N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is XWLXSBWBPMYMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)10-4-6-11(7-5-10)13-16-15-12(17-13)8-14-3/h4-7,9,14H,8H2,1-3H3.
What are the key properties of N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 62138841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).