2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole

C17H15N5OS — CID 4793213

IUPAC2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
SMILESCc1cc(C)n2c(SCc3ncc(-c4ccccc4)o3)nnc2n1
InChIInChI=1S/C17H15N5OS/c1-11-8-12(2)22-16(19-11)20-21-17(22)24-10-15-18-9-14(23-15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyYGPPZYWDGTUMFN-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.69
Rot. Bonds4

About 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole

2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole (PubChem CID 4793213) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
PubChem CID4793213
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
SMILESCc1cc(C)n2c(SCc3ncc(-c4ccccc4)o3)nnc2n1
InChIInChI=1S/C17H15N5OS/c1-11-8-12(2)22-16(19-11)20-21-17(22)24-10-15-18-9-14(23-15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyYGPPZYWDGTUMFN-UHFFFAOYSA-N
XLogP3.69
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole with MolForge

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Related Compounds

2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 4821189
2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 17483591
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 55482715
2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 7813861
2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 30443346
3-[(4-methoxyphenyl)methyl]-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 4825282
2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 30439424
4-(3-methoxyphenyl)-1-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 16506825
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 17427958
3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine
CID 8783179
N-(3-methylphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9118504
4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8747825

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole (CID 4793213) is 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole is Cc1cc(C)n2c(SCc3ncc(-c4ccccc4)o3)nnc2n1.
What is the InChIKey of 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole?
The InChIKey is YGPPZYWDGTUMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-11-8-12(2)22-16(19-11)20-21-17(22)24-10-15-18-9-14(23-15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole?
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole has a molecular weight of 337.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 4793213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).