5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole

C15H10ClN3OS — CID 141101476

IUPAC5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(Cn3ccc4cccnc43)no2)s1
InChIInChI=1S/C15H10ClN3OS/c16-14-4-3-13(21-14)12-8-11(18-20-12)9-19-7-5-10-2-1-6-17-15(10)19/h1-8H,9H2
InChIKeyAMNJIHVZLNOIRG-UHFFFAOYSA-N
MW315.79 g/mol
LogP4.45
Rot. Bonds3

About 5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole

5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole (PubChem CID 141101476) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole
PubChem CID141101476
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(Cn3ccc4cccnc43)no2)s1
InChIInChI=1S/C15H10ClN3OS/c16-14-4-3-13(21-14)12-8-11(18-20-12)9-19-7-5-10-2-1-6-17-15(10)19/h1-8H,9H2
InChIKeyAMNJIHVZLNOIRG-UHFFFAOYSA-N
XLogP4.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[(4-methylindol-1-yl)methyl]-1,2-oxazole
CID 141068860
3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-pyridin-2-ylimidazole-4-carboxylic acid
CID 69112497
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
CID 156503188
5-(5-chlorothiophen-2-yl)-3-[(3,7-diiodo-4-methoxyindol-1-yl)methyl]-1,2-oxazole
CID 141068869
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-(4-hydroxypiperidine-1-carbonyl)benzimidazole-2-carboxylic acid
CID 68617469
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid
CID 22394421
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-pyrimidin-4-ylpiperidin-4-yl)indole-2-carboxamide
CID 20801143
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide
CID 20801149
N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2-carboxamide
CID 91542066
3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenyl)-5-methylimidazole-4-carboxylic acid
CID 22939850
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(2,2,2-trifluoroethoxy)benzimidazole-2,4-dicarboxylic acid
CID 91323145

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole (CID 141101476) is 5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole is Clc1ccc(-c2cc(Cn3ccc4cccnc43)no2)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole?
The InChIKey is AMNJIHVZLNOIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-14-4-3-13(21-14)12-8-11(18-20-12)9-19-7-5-10-2-1-6-17-15(10)19/h1-8H,9H2.
What are the key properties of 5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole?
5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole has a molecular weight of 315.79 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 141101476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).