N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide

C17H10ClN3O2S — CID 2994872

IUPACN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cccs1
InChIInChI=1S/C17H10ClN3O2S/c18-12-6-5-10(20-16(22)14-4-2-8-24-14)9-11(12)17-21-15-13(23-17)3-1-7-19-15/h1-9H,(H,20,22)
InChIKeyGTGPDZYTHPRVGG-UHFFFAOYSA-N
MW355.81 g/mol
LogP4.86
Rot. Bonds3

About N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide

N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 2994872) has the molecular formula C17H10ClN3O2S and a molecular weight of 355.81 g/mol. Its IUPAC name is N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID2994872
Molecular FormulaC17H10ClN3O2S
Molecular Weight355.81 g/mol
Exact Mass355.02
IUPAC NameN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cccs1
InChIInChI=1S/C17H10ClN3O2S/c18-12-6-5-10(20-16(22)14-4-2-8-24-14)9-11(12)17-21-15-13(23-17)3-1-7-19-15/h1-9H,(H,20,22)
InChIKeyGTGPDZYTHPRVGG-UHFFFAOYSA-N
XLogP4.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide (CID 2994872) is N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cccs1.
What is the InChIKey of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is GTGPDZYTHPRVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2S/c18-12-6-5-10(20-16(22)14-4-2-8-24-14)9-11(12)17-21-15-13(23-17)3-1-7-19-15/h1-9H,(H,20,22).
What are the key properties of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide?
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 355.81 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2994872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).