3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole

C17H18N4OS — CID 95799300

IUPAC3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCCC3)nc2-c2sccc2C)on1
InChIInChI=1S/C17H18N4OS/c1-11-5-8-23-16(11)15-13(14-9-12(2)20-22-14)10-18-17(19-15)21-6-3-4-7-21/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyJKBWGGKSWWUQAY-UHFFFAOYSA-N
MW326.43 g/mol
LogP4.08
Rot. Bonds3

About 3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole

3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole (PubChem CID 95799300) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
PubChem CID95799300
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCCC3)nc2-c2sccc2C)on1
InChIInChI=1S/C17H18N4OS/c1-11-5-8-23-16(11)15-13(14-9-12(2)20-22-14)10-18-17(19-15)21-6-3-4-7-21/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyJKBWGGKSWWUQAY-UHFFFAOYSA-N
XLogP4.08
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-[4-(3-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole
CID 95799301
5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 95803023
5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 95801058
4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one
CID 95801064
5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 124912884
5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 92554598
cyclopropyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219984
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92554578
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 92554706
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine
CID 110219861
[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 92554492
furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 46952660

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole (CID 95799300) is 3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole is Cc1cc(-c2cnc(N3CCCC3)nc2-c2sccc2C)on1.
What is the InChIKey of 3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole?
The InChIKey is JKBWGGKSWWUQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-5-8-23-16(11)15-13(14-9-12(2)20-22-14)10-18-17(19-15)21-6-3-4-7-21/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole?
3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole has a molecular weight of 326.43 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole is sourced from PubChem (CID 95799300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).