N-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine

C12H16N2O — CID 67556572

IUPACN-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine
SMILESCNCC1C(c2ccccc2)=NOC1C
InChIInChI=1S/C12H16N2O/c1-9-11(8-13-2)12(14-15-9)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3
InChIKeyISEQFFLNZHXGQD-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.64
Rot. Bonds3

About N-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine

N-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine (PubChem CID 67556572) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine
PubChem CID67556572
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine
SMILESCNCC1C(c2ccccc2)=NOC1C
InChIInChI=1S/C12H16N2O/c1-9-11(8-13-2)12(14-15-9)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3
InChIKeyISEQFFLNZHXGQD-UHFFFAOYSA-N
XLogP1.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.64
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-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine (CID 67556572) is N-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine is CNCC1C(c2ccccc2)=NOC1C.
What is the InChIKey of N-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine?
The InChIKey is ISEQFFLNZHXGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-11(8-13-2)12(14-15-9)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine?
N-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine has a molecular weight of 204.27 g/mol, XLogP of 1.64, 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-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine is sourced from PubChem (CID 67556572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).