4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline

C18H20N2O — CID 3061434

IUPAC4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline
SMILESCNc1ccc(C2OC(C)(C)N=C2c2ccccc2)cc1
InChIInChI=1S/C18H20N2O/c1-18(2)20-16(13-7-5-4-6-8-13)17(21-18)14-9-11-15(19-3)12-10-14/h4-12,17,19H,1-3H3
InChIKeyXWTJYOBZVFMXTJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.03
Rot. Bonds3

About 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline

4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline (PubChem CID 3061434) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline
PubChem CID3061434
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline
SMILESCNc1ccc(C2OC(C)(C)N=C2c2ccccc2)cc1
InChIInChI=1S/C18H20N2O/c1-18(2)20-16(13-7-5-4-6-8-13)17(21-18)14-9-11-15(19-3)12-10-14/h4-12,17,19H,1-3H3
InChIKeyXWTJYOBZVFMXTJ-UHFFFAOYSA-N
XLogP4.03
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline?
The IUPAC name of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline (CID 3061434) is 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline.
What is the SMILES notation for 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline?
The canonical SMILES for 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline is CNc1ccc(C2OC(C)(C)N=C2c2ccccc2)cc1.
What is the InChIKey of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline?
The InChIKey is XWTJYOBZVFMXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2)20-16(13-7-5-4-6-8-13)17(21-18)14-9-11-15(19-3)12-10-14/h4-12,17,19H,1-3H3.
What are the key properties of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline?
4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline has a molecular weight of 280.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N-methylaniline is sourced from PubChem (CID 3061434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).