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

C17H15F3N4OS — CID 24917330

IUPAC5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CN1CCc2nc(C(F)(F)F)ncc2C1
InChIInChI=1S/C17H15F3N4OS/c1-10-13(22-15(25-10)14-3-2-6-26-14)9-24-5-4-12-11(8-24)7-21-16(23-12)17(18,19)20/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyDETKFRXYVQLQQV-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.08
Rot. Bonds3

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

5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole (PubChem CID 24917330) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
PubChem CID24917330
Molecular FormulaC17H15F3N4OS
Molecular Weight380.40 g/mol
Exact Mass380.09
IUPAC Name5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CN1CCc2nc(C(F)(F)F)ncc2C1
InChIInChI=1S/C17H15F3N4OS/c1-10-13(22-15(25-10)14-3-2-6-26-14)9-24-5-4-12-11(8-24)7-21-16(23-12)17(18,19)20/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyDETKFRXYVQLQQV-UHFFFAOYSA-N
XLogP4.08
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole (CID 24917330) is 5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole is Cc1oc(-c2cccs2)nc1CN1CCc2nc(C(F)(F)F)ncc2C1.
What is the InChIKey of 5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole?
The InChIKey is DETKFRXYVQLQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c1-10-13(22-15(25-10)14-3-2-6-26-14)9-24-5-4-12-11(8-24)7-21-16(23-12)17(18,19)20/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole?
5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole has a molecular weight of 380.40 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 5-methyl-2-thiophen-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 24917330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).