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

C21H26N2O — CID 3061440

IUPAC4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline
SMILESCc1cc(N(C)C)cc(C)c1C1OC(C)(C)N=C1c1ccccc1
InChIInChI=1S/C21H26N2O/c1-14-12-17(23(5)6)13-15(2)18(14)20-19(22-21(3,4)24-20)16-10-8-7-9-11-16/h7-13,20H,1-6H3
InChIKeyDVCKFBTUXYEUIO-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.67
Rot. Bonds3

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

4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline (PubChem CID 3061440) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline.

Molecular Properties

Compound Name4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline
PubChem CID3061440
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline
SMILESCc1cc(N(C)C)cc(C)c1C1OC(C)(C)N=C1c1ccccc1
InChIInChI=1S/C21H26N2O/c1-14-12-17(23(5)6)13-15(2)18(14)20-19(22-21(3,4)24-20)16-10-8-7-9-11-16/h7-13,20H,1-6H3
InChIKeyDVCKFBTUXYEUIO-UHFFFAOYSA-N
XLogP4.67
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.67
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-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline?
The IUPAC name of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline (CID 3061440) is 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline.
What is the SMILES notation for 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline?
The canonical SMILES for 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline is Cc1cc(N(C)C)cc(C)c1C1OC(C)(C)N=C1c1ccccc1.
What is the InChIKey of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline?
The InChIKey is DVCKFBTUXYEUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-14-12-17(23(5)6)13-15(2)18(14)20-19(22-21(3,4)24-20)16-10-8-7-9-11-16/h7-13,20H,1-6H3.
What are the key properties of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline?
4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline has a molecular weight of 322.45 g/mol, XLogP of 4.67, 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-phenyl-5H-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline is sourced from PubChem (CID 3061440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).