methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C15H13ClN2O3S — CID 9459655

IUPACmethyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)s2)nc2onc(C(C)C)c12
InChIInChI=1S/C15H13ClN2O3S/c1-7(2)13-12-8(15(19)20-3)6-9(17-14(12)21-18-13)10-4-5-11(16)22-10/h4-7H,1-3H3
InChIKeyWEUKEJFEINSABX-UHFFFAOYSA-N
MW336.80 g/mol
LogP4.51
Rot. Bonds3

About methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 9459655) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID9459655
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Namemethyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)s2)nc2onc(C(C)C)c12
InChIInChI=1S/C15H13ClN2O3S/c1-7(2)13-12-8(15(19)20-3)6-9(17-14(12)21-18-13)10-4-5-11(16)22-10/h4-7H,1-3H3
InChIKeyWEUKEJFEINSABX-UHFFFAOYSA-N
XLogP4.51
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533409
methyl 6-(4-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 9120689
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112817342
methyl 4-tert-butyl-2-(5-chlorothiophen-2-yl)-1,3-oxazole-5-carboxylate
CID 114370800
methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
CID 52576468
methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate
CID 18613894
methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 29091596
methyl 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422274
N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119421161
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2425108
6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 62366086
5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid
CID 4503814

Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 9459655) is methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccc(Cl)s2)nc2onc(C(C)C)c12.
What is the InChIKey of methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is WEUKEJFEINSABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-7(2)13-12-8(15(19)20-3)6-9(17-14(12)21-18-13)10-4-5-11(16)22-10/h4-7H,1-3H3.
What are the key properties of methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 336.80 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 9459655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).