4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline

C20H24N2O — CID 3061438

IUPAC4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline
SMILESCc1ccccc1C1=NC(C)(C)OC1c1ccc(N(C)C)cc1
InChIInChI=1S/C20H24N2O/c1-14-8-6-7-9-17(14)18-19(23-20(2,3)21-18)15-10-12-16(13-11-15)22(4)5/h6-13,19H,1-5H3
InChIKeyZKBSCRTYFAFAQY-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.36
Rot. Bonds3

About 4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline

4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline (PubChem CID 3061438) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline
PubChem CID3061438
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline
SMILESCc1ccccc1C1=NC(C)(C)OC1c1ccc(N(C)C)cc1
InChIInChI=1S/C20H24N2O/c1-14-8-6-7-9-17(14)18-19(23-20(2,3)21-18)15-10-12-16(13-11-15)22(4)5/h6-13,19H,1-5H3
InChIKeyZKBSCRTYFAFAQY-UHFFFAOYSA-N
XLogP4.36
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline (CID 3061438) is 4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline is Cc1ccccc1C1=NC(C)(C)OC1c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline?
The InChIKey is ZKBSCRTYFAFAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-8-6-7-9-17(14)18-19(23-20(2,3)21-18)15-10-12-16(13-11-15)22(4)5/h6-13,19H,1-5H3.
What are the key properties of 4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline?
4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline has a molecular weight of 308.43 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 3061438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).