5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole

C17H13ClN2OS — CID 141068860

IUPAC5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole
SMILESCc1cccc2c1ccn2Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C17H13ClN2OS/c1-11-3-2-4-14-13(11)7-8-20(14)10-12-9-15(21-19-12)16-5-6-17(18)22-16/h2-9H,10H2,1H3
InChIKeyFTIQHAZCBNANLK-UHFFFAOYSA-N
MW328.82 g/mol
LogP5.37
Rot. Bonds3

About 5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole

5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole (PubChem CID 141068860) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole
PubChem CID141068860
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole
SMILESCc1cccc2c1ccn2Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C17H13ClN2OS/c1-11-3-2-4-14-13(11)7-8-20(14)10-12-9-15(21-19-12)16-5-6-17(18)22-16/h2-9H,10H2,1H3
InChIKeyFTIQHAZCBNANLK-UHFFFAOYSA-N
XLogP5.37
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.82
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chlorothiophen-2-yl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-1,2-oxazole
CID 141101479
5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole
CID 141101476
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
CID 116620312
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 90309447
1-[(3,4-dichlorophenyl)methyl]-4-methylindole
CID 116620210
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid
CID 22394421
5-(5-chlorothiophen-2-yl)-3-[(3,7-diiodo-4-methoxyindol-1-yl)methyl]-1,2-oxazole
CID 141068869
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
CID 116620304
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-(4-hydroxypiperidine-1-carbonyl)benzimidazole-2-carboxylic acid
CID 68617469
3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 146288408
4-methyl-1-(pyrimidin-2-ylmethyl)indole
CID 116620137
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole
CID 116620406

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole (CID 141068860) is 5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole is Cc1cccc2c1ccn2Cc1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole?
The InChIKey is FTIQHAZCBNANLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c1-11-3-2-4-14-13(11)7-8-20(14)10-12-9-15(21-19-12)16-5-6-17(18)22-16/h2-9H,10H2,1H3.
What are the key properties of 5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole?
5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole has a molecular weight of 328.82 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 141068860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).