N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline

C20H24N2O — CID 101437695

IUPACN-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2ccccc2C2=NC(C)(C)CO2)c(C)c1
InChIInChI=1S/C20H24N2O/c1-13-10-14(2)18(15(3)11-13)21-17-9-7-6-8-16(17)19-22-20(4,5)12-23-19/h6-11,21H,12H2,1-5H3
InChIKeyVJAYDBDZBOPMTI-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.91
Rot. Bonds3

About N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline

N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline (PubChem CID 101437695) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline
PubChem CID101437695
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2ccccc2C2=NC(C)(C)CO2)c(C)c1
InChIInChI=1S/C20H24N2O/c1-13-10-14(2)18(15(3)11-13)21-17-9-7-6-8-16(17)19-22-20(4,5)12-23-19/h6-11,21H,12H2,1-5H3
InChIKeyVJAYDBDZBOPMTI-UHFFFAOYSA-N
XLogP4.91
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(Hexadecylamino)phenyl]oxazoline
CID 20437370
2-[(4S)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-N-{2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]phenyl}benzenamine
CID 10916509
2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)aniline
CID 10583839
N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)aniline
CID 85314388
2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-N-(2-fluorophenyl)-aniline
CID 129855615
8-[2,6-Di(propan-2-yl)phenyl]-7,7-difluoro-5,5-dimethyl-3-oxa-8-aza-6-azonia-7-boranuidatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene
CID 139176522
bis(2-((S)-4-Phenyl-4,5-dihydrooxazol-2-yl)phenyl)amine
CID 10994174
Bis[2-((4S)-4,5-dihydro-4-isopropyloxazol-2-yl)phenyl]amine
CID 11003687
Bis[2-((4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl)phenyl]amine
CID 11026189
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-methylaniline
CID 12568841
2,6-dimethyl-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 101962532
N-Methyl-2-(4-methylene-3-oxa-1-azaspiro[4.5]dec-1-en-2-yl)aniline
CID 377506

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline (CID 101437695) is N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline is Cc1cc(C)c(Nc2ccccc2C2=NC(C)(C)CO2)c(C)c1.
What is the InChIKey of N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline?
The InChIKey is VJAYDBDZBOPMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-13-10-14(2)18(15(3)11-13)21-17-9-7-6-8-16(17)19-22-20(4,5)12-23-19/h6-11,21H,12H2,1-5H3.
What are the key properties of N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline?
N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline has a molecular weight of 308.43 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 101437695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).