methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate

C19H16N2O4S — CID 90565392

IUPACmethyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
SMILESCOC(=O)C1c2ccsc2CCN1C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H16N2O4S/c1-24-19(23)17-13-8-10-26-16(13)7-9-21(17)18(22)14-11-15(25-20-14)12-5-3-2-4-6-12/h2-6,8,10-11,17H,7,9H2,1H3
InChIKeyKGEGLXIYQHTOOU-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.32
Rot. Bonds3

About methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate

methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate (PubChem CID 90565392) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
PubChem CID90565392
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Namemethyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
SMILESCOC(=O)C1c2ccsc2CCN1C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H16N2O4S/c1-24-19(23)17-13-8-10-26-16(13)7-9-21(17)18(22)14-11-15(25-20-14)12-5-3-2-4-6-12/h2-6,8,10-11,17H,7,9H2,1H3
InChIKeyKGEGLXIYQHTOOU-UHFFFAOYSA-N
XLogP3.32
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate with MolForge

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Related Compounds

methyl (4S)-5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 97105128
methyl 5-(2-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565267
methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565388
methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 97105143
methyl 5-(4-fluorobenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565283
methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565269
(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313518
methyl 5-(6-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565186
methyl 5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565363
1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 4775686
methyl 5-[(3,4-dimethylphenyl)carbamoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 121130847
methyl 5-[(3-methylphenyl)carbamoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 121130833

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
The IUPAC name of methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate (CID 90565392) is methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate is COC(=O)C1c2ccsc2CCN1C(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
The InChIKey is KGEGLXIYQHTOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-24-19(23)17-13-8-10-26-16(13)7-9-21(17)18(22)14-11-15(25-20-14)12-5-3-2-4-6-12/h2-6,8,10-11,17H,7,9H2,1H3.
What are the key properties of methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate is sourced from PubChem (CID 90565392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).