N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C16H15N5O2S — CID 122298311

IUPACN-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H15N5O2S/c22-15(12-8-13(23-20-12)14-4-3-7-24-14)19-11-9-17-16(18-10-11)21-5-1-2-6-21/h3-4,7-10H,1-2,5-6H2,(H,19,22)
InChIKeyVGGCASDUBQZLIW-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.05
Rot. Bonds4

About N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 122298311) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID122298311
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H15N5O2S/c22-15(12-8-13(23-20-12)14-4-3-7-24-14)19-11-9-17-16(18-10-11)21-5-1-2-6-21/h3-4,7-10H,1-2,5-6H2,(H,19,22)
InChIKeyVGGCASDUBQZLIW-UHFFFAOYSA-N
XLogP3.05
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 122298311) is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cnc(N2CCCC2)nc1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VGGCASDUBQZLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-15(12-8-13(23-20-12)14-4-3-7-24-14)19-11-9-17-16(18-10-11)21-5-1-2-6-21/h3-4,7-10H,1-2,5-6H2,(H,19,22).
What are the key properties of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122298311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).