methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate

C12H12N2O3S — CID 170424255

IUPACmethyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate
SMILESCCSc1cc(-c2cnoc2)cnc1C(=O)OC
InChIInChI=1S/C12H12N2O3S/c1-3-18-10-4-8(9-6-14-17-7-9)5-13-11(10)12(15)16-2/h4-7H,3H2,1-2H3
InChIKeyGXTZWRJCMZZYNP-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.64
Rot. Bonds4

About methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate

methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate (PubChem CID 170424255) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate
PubChem CID170424255
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Namemethyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate
SMILESCCSc1cc(-c2cnoc2)cnc1C(=O)OC
InChIInChI=1S/C12H12N2O3S/c1-3-18-10-4-8(9-6-14-17-7-9)5-13-11(10)12(15)16-2/h4-7H,3H2,1-2H3
InChIKeyGXTZWRJCMZZYNP-UHFFFAOYSA-N
XLogP2.64
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-ethylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
CID 167506768
methyl 5-(1-cyano-2-ethoxy-2-oxoethyl)-3-ethylsulfanylpyridine-2-carboxylate
CID 134466850
methyl 3-ethylsulfanyl-5-(1-isocyanocyclopropyl)pyridine-2-carboxylate
CID 170527181
ethyl 3-ethylsulfanyl-5-(methoxymethoxy)pyridine-2-carboxylate
CID 135319653
6-ethoxycarbonyl-5-ethylsulfanylpyridine-3-carboxylic acid
CID 122462154
1-(3-ethylsulfanyl-5-pyrimidin-2-yl-2-pyridinyl)ethanone
CID 121320656
methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636624
methyl 5-chloro-3-ethylsulfanylquinoline-2-carboxylate
CID 121398062
5-bromo-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide
CID 121320697
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720
methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate
CID 177118718

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate (CID 170424255) is methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate is CCSc1cc(-c2cnoc2)cnc1C(=O)OC.
What is the InChIKey of methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate?
The InChIKey is GXTZWRJCMZZYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-3-18-10-4-8(9-6-14-17-7-9)5-13-11(10)12(15)16-2/h4-7H,3H2,1-2H3.
What are the key properties of methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate?
methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate has a molecular weight of 264.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethylsulfanyl-5-(1,2-oxazol-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 170424255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).