2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine

C14H18N2O — CID 112723924

IUPAC2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cc(-c2ccccc2)on1
InChIInChI=1S/C14H18N2O/c1-14(2,3)15-10-12-9-13(17-16-12)11-7-5-4-6-8-11/h4-9,15H,10H2,1-3H3
InChIKeyZJMCJSURHJREGG-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.23
Rot. Bonds3

About 2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine

2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine (PubChem CID 112723924) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
PubChem CID112723924
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cc(-c2ccccc2)on1
InChIInChI=1S/C14H18N2O/c1-14(2,3)15-10-12-9-13(17-16-12)11-7-5-4-6-8-11/h4-9,15H,10H2,1-3H3
InChIKeyZJMCJSURHJREGG-UHFFFAOYSA-N
XLogP3.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride
CID 120966482
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 78925092
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopentanamine
CID 170752500
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
CID 170752624
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
CID 162624310
3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol
CID 134232686
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111609864
5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 86805393
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111609863
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 71934163

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine (CID 112723924) is 2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine is CC(C)(C)NCc1cc(-c2ccccc2)on1.
What is the InChIKey of 2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine?
The InChIKey is ZJMCJSURHJREGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,3)15-10-12-9-13(17-16-12)11-7-5-4-6-8-11/h4-9,15H,10H2,1-3H3.
What are the key properties of 2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine?
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 112723924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).