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

C18H13N3O2S — CID 2995648

IUPACN-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C18H13N3O2S/c1-11-10-12(18-21-16-14(23-18)4-2-8-19-16)6-7-13(11)20-17(22)15-5-3-9-24-15/h2-10H,1H3,(H,20,22)
InChIKeyFODMWKJNNMEVPR-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.51
Rot. Bonds3

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

N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 2995648) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID2995648
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC NameN-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C18H13N3O2S/c1-11-10-12(18-21-16-14(23-18)4-2-8-19-16)6-7-13(11)20-17(22)15-5-3-9-24-15/h2-10H,1H3,(H,20,22)
InChIKeyFODMWKJNNMEVPR-UHFFFAOYSA-N
XLogP4.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2995615
4-ethoxy-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2997105
N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide
CID 1257559
N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1303981
N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide
CID 17100754
3-chloro-4-methoxy-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 17358119
N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1257591
N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3367913
2,5-dichloro-N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 4595462
4-methoxy-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-nitrobenzamide
CID 3777798
5-bromo-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 2866990
5-(4-chlorophenyl)-N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 17114865

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide (CID 2995648) is N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide is Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is FODMWKJNNMEVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-11-10-12(18-21-16-14(23-18)4-2-8-19-16)6-7-13(11)20-17(22)15-5-3-9-24-15/h2-10H,1H3,(H,20,22).
What are the key properties of N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide?
N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2995648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).