3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole

C18H18N4O3S — CID 24931129

IUPAC3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole
SMILESCS(=O)(=O)c1ncc2c(n1)CN(Cc1cc(-c3ccccc3)on1)CC2
InChIInChI=1S/C18H18N4O3S/c1-26(23,24)18-19-10-14-7-8-22(12-16(14)20-18)11-15-9-17(25-21-15)13-5-3-2-4-6-13/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyCTMWNGGELICOST-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.09
Rot. Bonds4

About 3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole

3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole (PubChem CID 24931129) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole
PubChem CID24931129
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole
SMILESCS(=O)(=O)c1ncc2c(n1)CN(Cc1cc(-c3ccccc3)on1)CC2
InChIInChI=1S/C18H18N4O3S/c1-26(23,24)18-19-10-14-7-8-22(12-16(14)20-18)11-15-9-17(25-21-15)13-5-3-2-4-6-13/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyCTMWNGGELICOST-UHFFFAOYSA-N
XLogP2.09
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-phenyl-1,2-oxazole
CID 24916142
5-(4-methylphenyl)-3-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24915218
5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole
CID 24931128
3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole
CID 24931142
4-[7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931133
3-methyl-4-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-phenyl-1,2-oxazole
CID 24912950
7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930562
7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930646
3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
CID 24916149
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912614
2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine
CID 24917128
2-methylsulfonyl-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908837

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole (CID 24931129) is 3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole is CS(=O)(=O)c1ncc2c(n1)CN(Cc1cc(-c3ccccc3)on1)CC2.
What is the InChIKey of 3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole?
The InChIKey is CTMWNGGELICOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-26(23,24)18-19-10-14-7-8-22(12-16(14)20-18)11-15-9-17(25-21-15)13-5-3-2-4-6-13/h2-6,9-10H,7-8,11-12H2,1H3.
What are the key properties of 3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole?
3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole has a molecular weight of 370.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 24931129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).