(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate

C21H16N2O3 — CID 16508797

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCc2coc(-c3ccccc3)n2)c2ccccc2n1
InChIInChI=1S/C21H16N2O3/c1-14-11-18(17-9-5-6-10-19(17)22-14)21(24)26-13-16-12-25-20(23-16)15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyQIWABQAQINPUJE-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.56
Rot. Bonds4

About (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate

(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate (PubChem CID 16508797) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
PubChem CID16508797
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCc2coc(-c3ccccc3)n2)c2ccccc2n1
InChIInChI=1S/C21H16N2O3/c1-14-11-18(17-9-5-6-10-19(17)22-14)21(24)26-13-16-12-25-20(23-16)15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyQIWABQAQINPUJE-UHFFFAOYSA-N
XLogP4.56
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
benzyl 2-methylquinoline-4-carboxylate
CID 804130
(2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199699
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
(2-phenyl-1,3-oxazol-4-yl)methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 36757589
(2-phenyl-1,3-oxazol-4-yl)methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 32925580
(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
CID 18085087
(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 18085109
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55547095
(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
CID 2432200
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986911
(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate
CID 166222394

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate (CID 16508797) is (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCc2coc(-c3ccccc3)n2)c2ccccc2n1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate?
The InChIKey is QIWABQAQINPUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-14-11-18(17-9-5-6-10-19(17)22-14)21(24)26-13-16-12-25-20(23-16)15-7-3-2-4-8-15/h2-12H,13H2,1H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate?
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 16508797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).