6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone

C19H18N2O4S — CID 42508957

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
SMILESCOc1cccc(OCc2nc(C(=O)N3CCc4sccc4C3)co2)c1
InChIInChI=1S/C19H18N2O4S/c1-23-14-3-2-4-15(9-14)24-12-18-20-16(11-25-18)19(22)21-7-5-17-13(10-21)6-8-26-17/h2-4,6,8-9,11H,5,7,10,12H2,1H3
InChIKeyIUSZHHINQQYOEN-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.52
Rot. Bonds5

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 42508957) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
PubChem CID42508957
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
SMILESCOc1cccc(OCc2nc(C(=O)N3CCc4sccc4C3)co2)c1
InChIInChI=1S/C19H18N2O4S/c1-23-14-3-2-4-15(9-14)24-12-18-20-16(11-25-18)19(22)21-7-5-17-13(10-21)6-8-26-17/h2-4,6,8-9,11H,5,7,10,12H2,1H3
InChIKeyIUSZHHINQQYOEN-UHFFFAOYSA-N
XLogP3.52
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56707470
(1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56711979
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3-methoxyphenyl)propan-1-one
CID 134051244
4-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]-1,4-diazepan-2-one
CID 56747442
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135
N-[(3-chlorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 25374266
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56701984
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one
CID 175651657
[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42197710
2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42147972
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-methoxy-3-methyl-2-pyridinyl)methanone
CID 166385335

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone (CID 42508957) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone is COc1cccc(OCc2nc(C(=O)N3CCc4sccc4C3)co2)c1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is IUSZHHINQQYOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-23-14-3-2-4-15(9-14)24-12-18-20-16(11-25-18)19(22)21-7-5-17-13(10-21)6-8-26-17/h2-4,6,8-9,11H,5,7,10,12H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 370.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 42508957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).