5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole

C19H16N2O2S — CID 168926632

IUPAC5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole
SMILESc1ncc(-c2ccc3cnc4cc(C5CCOCC5)sc4c3c2)o1
InChIInChI=1S/C19H16N2O2S/c1-2-14-9-21-16-8-18(12-3-5-22-6-4-12)24-19(16)15(14)7-13(1)17-10-20-11-23-17/h1-2,7-12H,3-6H2
InChIKeyWHXSBFBWLHOFCG-UHFFFAOYSA-N
MW336.42 g/mol
LogP5.00
Rot. Bonds2

About 5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole

5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole (PubChem CID 168926632) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole
PubChem CID168926632
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole
SMILESc1ncc(-c2ccc3cnc4cc(C5CCOCC5)sc4c3c2)o1
InChIInChI=1S/C19H16N2O2S/c1-2-14-9-21-16-8-18(12-3-5-22-6-4-12)24-19(16)15(14)7-13(1)17-10-20-11-23-17/h1-2,7-12H,3-6H2
InChIKeyWHXSBFBWLHOFCG-UHFFFAOYSA-N
XLogP5.00
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Isoquinolin-5-yl)-N-(2-(oxazol-2-yl)thiophen-3-yl)acetamide
CID 46868931
5-[6-(4-Methylphenyl)-4-(trifluoromethyl)-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]-1,3-oxazole
CID 178691111
US20240043440, Example 70
CID 135387619
5-[4-(6-Iodo-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole
CID 25204185
3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 58703408
Tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]-1,3-benzothiazol-6-yl]stannane
CID 67404370
Tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]-1,3-benzothiazol-5-yl]stannane
CID 67404704
5-[4-(5-Iodo-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole
CID 67405762
6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one
CID 68740040
N-[2-formyl-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophen-3-yl]-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 89187692
5-[4-[2-(3-Phenylphenyl)-10-[2-(1,3-thiazol-5-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole
CID 121297822
2-[4-[3-(1-Benzothiophen-2-yl)isoquinolin-7-yl]phenyl]-1,3-oxazole
CID 146648653

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole?
The IUPAC name of 5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole (CID 168926632) is 5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole.
What is the SMILES notation for 5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole?
The canonical SMILES for 5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole is c1ncc(-c2ccc3cnc4cc(C5CCOCC5)sc4c3c2)o1.
What is the InChIKey of 5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole?
The InChIKey is WHXSBFBWLHOFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-2-14-9-21-16-8-18(12-3-5-22-6-4-12)24-19(16)15(14)7-13(1)17-10-20-11-23-17/h1-2,7-12H,3-6H2.
What are the key properties of 5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole?
5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole has a molecular weight of 336.42 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole is sourced from PubChem (CID 168926632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).