N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

C17H16N4O3S — CID 135505414

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1cc(NC(=O)C(C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)no1
InChIInChI=1S/C17H16N4O3S/c1-10-8-14(21-24-10)19-16(23)11(2)25-17-18-13(9-15(22)20-17)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,18,20,22)(H,19,21,23)
InChIKeyKFXWZQLTSLJIGG-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.85
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 135505414) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID135505414
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1cc(NC(=O)C(C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)no1
InChIInChI=1S/C17H16N4O3S/c1-10-8-14(21-24-10)19-16(23)11(2)25-17-18-13(9-15(22)20-17)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,18,20,22)(H,19,21,23)
InChIKeyKFXWZQLTSLJIGG-UHFFFAOYSA-N
XLogP2.85
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide 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-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 135505414) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide is Cc1cc(NC(=O)C(C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is KFXWZQLTSLJIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-10-8-14(21-24-10)19-16(23)11(2)25-17-18-13(9-15(22)20-17)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,18,20,22)(H,19,21,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 356.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 135505414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).