6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline

C19H20F2N2O — CID 142007078

IUPAC6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline
SMILESCc1ccc(Nc2c(C3=NC(C)(C)CO3)ccc(F)c2F)c(C)c1
InChIInChI=1S/C19H20F2N2O/c1-11-5-8-15(12(2)9-11)22-17-13(6-7-14(20)16(17)21)18-23-19(3,4)10-24-18/h5-9,22H,10H2,1-4H3
InChIKeyCLULKQZWUBVMNN-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.88
Rot. Bonds3

About 6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline

6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline (PubChem CID 142007078) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline.

Molecular Properties

Compound Name6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline
PubChem CID142007078
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline
SMILESCc1ccc(Nc2c(C3=NC(C)(C)CO3)ccc(F)c2F)c(C)c1
InChIInChI=1S/C19H20F2N2O/c1-11-5-8-15(12(2)9-11)22-17-13(6-7-14(20)16(17)21)18-23-19(3,4)10-24-18/h5-9,22H,10H2,1-4H3
InChIKeyCLULKQZWUBVMNN-UHFFFAOYSA-N
XLogP4.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
(1Z)-2,2,2-trifluoro-1-[5-imino-3-(4-methylphenyl)-2-phenyl-1,3-oxazol-3-ium-4-ylidene]ethanolate
CID 134908000
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3-fluorophenyl]-3-fluoroaniline
CID 134952367
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
4-fluoro-N-[(2S)-2-methyl-1-phenylmethoxybut-3-en-2-yl]aniline
CID 176426885
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 6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline?
The IUPAC name of 6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline (CID 142007078) is 6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline.
What is the SMILES notation for 6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline?
The canonical SMILES for 6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline is Cc1ccc(Nc2c(C3=NC(C)(C)CO3)ccc(F)c2F)c(C)c1.
What is the InChIKey of 6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline?
The InChIKey is CLULKQZWUBVMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-11-5-8-15(12(2)9-11)22-17-13(6-7-14(20)16(17)21)18-23-19(3,4)10-24-18/h5-9,22H,10H2,1-4H3.
What are the key properties of 6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline?
6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline has a molecular weight of 330.38 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2,4-dimethylphenyl)-2,3-difluoroaniline is sourced from PubChem (CID 142007078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).