4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine

C17H18N4O2S — CID 95799409

IUPAC4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine
SMILESCc1cc(-c2cnc(N3CCOCC3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C17H18N4O2S/c1-11-9-14(23-20-11)13-10-18-17(21-5-7-22-8-6-21)19-16(13)15-4-3-12(2)24-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyQHLXGZNCHUWPHR-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.31
Rot. Bonds3

About 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine

4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine (PubChem CID 95799409) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine
PubChem CID95799409
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine
SMILESCc1cc(-c2cnc(N3CCOCC3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C17H18N4O2S/c1-11-9-14(23-20-11)13-10-18-17(21-5-7-22-8-6-21)19-16(13)15-4-3-12(2)24-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyQHLXGZNCHUWPHR-UHFFFAOYSA-N
XLogP3.31
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine 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 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine (CID 95799409) is 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine is Cc1cc(-c2cnc(N3CCOCC3)nc2-c2ccc(C)s2)on1.
What is the InChIKey of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine?
The InChIKey is QHLXGZNCHUWPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-9-14(23-20-11)13-10-18-17(21-5-7-22-8-6-21)19-16(13)15-4-3-12(2)24-15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine?
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine has a molecular weight of 342.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 95799409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).