4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide

C16H9F2N5O2S — CID 167897284

IUPAC4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ocnc1C(F)F
InChIInChI=1S/C16H9F2N5O2S/c17-12(18)10-11(25-7-20-10)15(24)22-13-8-4-6-26-16(8)23-14(21-13)9-3-1-2-5-19-9/h1-7,12H,(H,21,22,23,24)
InChIKeyROEQDWLKDGJDBO-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.93
Rot. Bonds4

About 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide

4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide (PubChem CID 167897284) has the molecular formula C16H9F2N5O2S and a molecular weight of 373.34 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide
PubChem CID167897284
Molecular FormulaC16H9F2N5O2S
Molecular Weight373.34 g/mol
Exact Mass373.04
IUPAC Name4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ocnc1C(F)F
InChIInChI=1S/C16H9F2N5O2S/c17-12(18)10-11(25-7-20-10)15(24)22-13-8-4-6-26-16(8)23-14(21-13)9-3-1-2-5-19-9/h1-7,12H,(H,21,22,23,24)
InChIKeyROEQDWLKDGJDBO-UHFFFAOYSA-N
XLogP3.93
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-(pyridin-4-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1086478
US20250042914, Example 16
CID 168180713
N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 166331851
4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45275626
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide
CID 176859086
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-2-yl-1,3-oxazole-5-carboxamide
CID 176859298
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide
CID 176859598
2-(1,3-Oxazol-5-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 68605448
(4-Ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
CID 138017091
5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide
CID 166331841
5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide
CID 166331867
5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide
CID 166331884

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide (CID 167897284) is 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide is O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ocnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is ROEQDWLKDGJDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N5O2S/c17-12(18)10-11(25-7-20-10)15(24)22-13-8-4-6-26-16(8)23-14(21-13)9-3-1-2-5-19-9/h1-7,12H,(H,21,22,23,24).
What are the key properties of 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide?
4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 167897284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).