N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine

C12H14N2O — CID 65239812

IUPACN-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCNCc1cnoc1-c1ccc(C)cc1
InChIInChI=1S/C12H14N2O/c1-9-3-5-10(6-4-9)12-11(7-13-2)8-14-15-12/h3-6,8,13H,7H2,1-2H3
InChIKeyYOKUAMDILDXHOL-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.37
Rot. Bonds3

About N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine

N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 65239812) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine
PubChem CID65239812
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCNCc1cnoc1-c1ccc(C)cc1
InChIInChI=1S/C12H14N2O/c1-9-3-5-10(6-4-9)12-11(7-13-2)8-14-15-12/h3-6,8,13H,7H2,1-2H3
InChIKeyYOKUAMDILDXHOL-UHFFFAOYSA-N
XLogP2.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine (CID 65239812) is N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine is CNCc1cnoc1-c1ccc(C)cc1.
What is the InChIKey of N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is YOKUAMDILDXHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-3-5-10(6-4-9)12-11(7-13-2)8-14-15-12/h3-6,8,13H,7H2,1-2H3.
What are the key properties of N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine?
N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 65239812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).