(5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate

C18H16N2O3 — CID 26988923

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCc1cc(COC(=O)c2ccc(-c3ccccc3)nc2C)no1
InChIInChI=1S/C18H16N2O3/c1-12-10-15(20-23-12)11-22-18(21)16-8-9-17(19-13(16)2)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyRTAQQNPOIXCIOA-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.71
Rot. Bonds4

About (5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate

(5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate (PubChem CID 26988923) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
PubChem CID26988923
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCc1cc(COC(=O)c2ccc(-c3ccccc3)nc2C)no1
InChIInChI=1S/C18H16N2O3/c1-12-10-15(20-23-12)11-22-18(21)16-8-9-17(19-13(16)2)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyRTAQQNPOIXCIOA-UHFFFAOYSA-N
XLogP3.71
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 46562340
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648581
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate
CID 8945252
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463613
(5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate
CID 8952093
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate
CID 17423867
(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 9063187
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648948
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
(5-methyl-1,2-oxazol-3-yl)methyl 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8955375

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate (CID 26988923) is (5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate is Cc1cc(COC(=O)c2ccc(-c3ccccc3)nc2C)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate?
The InChIKey is RTAQQNPOIXCIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-10-15(20-23-12)11-22-18(21)16-8-9-17(19-13(16)2)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate?
(5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 26988923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).