5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide

C13H8ClN3O2S — CID 69286750

IUPAC5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2sc(-c3ncco3)cc2Cl)cn1
InChIInChI=1S/C13H8ClN3O2S/c14-8-5-10(13-16-3-4-19-13)20-11(8)7-1-2-9(12(15)18)17-6-7/h1-6H,(H2,15,18)
InChIKeyDOQNNFCCCFTCFW-UHFFFAOYSA-N
MW305.75 g/mol
LogP3.22
Rot. Bonds3

About 5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide

5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide (PubChem CID 69286750) has the molecular formula C13H8ClN3O2S and a molecular weight of 305.75 g/mol. Its IUPAC name is 5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide
PubChem CID69286750
Molecular FormulaC13H8ClN3O2S
Molecular Weight305.75 g/mol
Exact Mass305.00
IUPAC Name5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2sc(-c3ncco3)cc2Cl)cn1
InChIInChI=1S/C13H8ClN3O2S/c14-8-5-10(13-16-3-4-19-13)20-11(8)7-1-2-9(12(15)18)17-6-7/h1-6H,(H2,15,18)
InChIKeyDOQNNFCCCFTCFW-UHFFFAOYSA-N
XLogP3.22
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide (CID 69286750) is 5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide is NC(=O)c1ccc(-c2sc(-c3ncco3)cc2Cl)cn1.
What is the InChIKey of 5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide?
The InChIKey is DOQNNFCCCFTCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2S/c14-8-5-10(13-16-3-4-19-13)20-11(8)7-1-2-9(12(15)18)17-6-7/h1-6H,(H2,15,18).
What are the key properties of 5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide?
5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide has a molecular weight of 305.75 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 69286750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).