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

C17H18N4OS — CID 95799410

IUPAC3-methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCCC3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C17H18N4OS/c1-11-9-14(22-20-11)13-10-18-17(21-7-3-4-8-21)19-16(13)15-6-5-12(2)23-15/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyRFJLXUHRDMXFAV-UHFFFAOYSA-N
MW326.43 g/mol
LogP4.08
Rot. Bonds3

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

3-methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole (PubChem CID 95799410) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
PubChem CID95799410
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name3-methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCCC3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C17H18N4OS/c1-11-9-14(22-20-11)13-10-18-17(21-7-3-4-8-21)19-16(13)15-6-5-12(2)23-15/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyRFJLXUHRDMXFAV-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole (CID 95799410) is 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole is Cc1cc(-c2cnc(N3CCCC3)nc2-c2ccc(C)s2)on1.
What is the InChIKey of 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole?
The InChIKey is RFJLXUHRDMXFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-9-14(22-20-11)13-10-18-17(21-7-3-4-8-21)19-16(13)15-6-5-12(2)23-15/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole?
3-methyl-5-[4-(5-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-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole is sourced from PubChem (CID 95799410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).