3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine

C15H20N2O — CID 82140365

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCc1noc(C)c1CC(C)(CN)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-11-14(12(2)18-17-11)9-15(3,10-16)13-7-5-4-6-8-13/h4-8H,9-10,16H2,1-3H3
InChIKeyYJFTUUMLVDOJOS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine

3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 82140365) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine
PubChem CID82140365
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCc1noc(C)c1CC(C)(CN)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-11-14(12(2)18-17-11)9-15(3,10-16)13-7-5-4-6-8-13/h4-8H,9-10,16H2,1-3H3
InChIKeyYJFTUUMLVDOJOS-UHFFFAOYSA-N
XLogP2.75
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5325760
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3-Methyl-4-phenylisoxazol-5-amine
CID 1382046
3-Methyl-5-phenylisoxazole
CID 136804
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
5-Methyl-3-phenyl-1,2-oxazole
CID 136803
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
5-Tert-butyl-3-phenyl-1,2-oxazole
CID 2853311
(E)-3-(dimethylamino)-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)prop-2-en-1-one
CID 5704195
5-Methyl-3-phenylisoxazole-4-carboxamide
CID 644844
4-Methyl-3-phenyl-5-isoxazolamine
CID 570558
1-(3-Phenyl-1,2-oxazol-5-yl)methanamine
CID 2764165

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine (CID 82140365) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine is Cc1noc(C)c1CC(C)(CN)c1ccccc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is YJFTUUMLVDOJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-14(12(2)18-17-11)9-15(3,10-16)13-7-5-4-6-8-13/h4-8H,9-10,16H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 82140365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).