3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole

C16H14N2O — CID 9114434

IUPAC3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole
SMILESCc1noc(C)c1/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C16H14N2O/c1-11-15(12(2)19-18-11)10-9-14-8-7-13-5-3-4-6-16(13)17-14/h3-10H,1-2H3/b10-9+
InChIKeyDYMMJVSRTHMTDL-MDZDMXLPSA-N
MW250.30 g/mol
LogP4.01
Rot. Bonds2

About 3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole

3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole (PubChem CID 9114434) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole
PubChem CID9114434
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole
SMILESCc1noc(C)c1/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C16H14N2O/c1-11-15(12(2)19-18-11)10-9-14-8-7-13-5-3-4-6-16(13)17-14/h3-10H,1-2H3/b10-9+
InChIKeyDYMMJVSRTHMTDL-MDZDMXLPSA-N
XLogP4.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-3-phenylisoxazole
CID 11582059
3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole
CID 675343
3,5-Dimethyl-4-((quinolin-2-ylthio)methyl)isoxazole
CID 755902
5-(3-Butylquinolin-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 76311030
4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide
CID 122185987
2-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide
CID 32448149
3-(4-Fluorophenyl)-5-(3-propylquinolin-2-yl)-1,2-oxazole
CID 76311028
5-(3-Butylquinolin-2-yl)-3-(4-methylphenyl)-1,2-oxazole
CID 76311029
5-(3-Pentylquinolin-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 76314662
5-(3-Ethylquinolin-2-yl)-3-phenyl-1,2-oxazole
CID 76318229
3-(4-Methylphenyl)-5-(3-propylquinolin-2-yl)-1,2-oxazole
CID 76318230
5-(3-Pentylquinolin-2-yl)-3-phenyl-1,2-oxazole
CID 76321919

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole (CID 9114434) is 3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole is Cc1noc(C)c1/C=C/c1ccc2ccccc2n1.
What is the InChIKey of 3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole?
The InChIKey is DYMMJVSRTHMTDL-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-15(12(2)19-18-11)10-9-14-8-7-13-5-3-4-6-16(13)17-14/h3-10H,1-2H3/b10-9+.
What are the key properties of 3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole?
3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole has a molecular weight of 250.30 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]-1,2-oxazole is sourced from PubChem (CID 9114434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).