2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone

C15H18N4O2 — CID 75461173

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
SMILESCc1ncc2c(n1)CCN(C(=O)Cc1c(C)noc1C)C2
InChIInChI=1S/C15H18N4O2/c1-9-13(10(2)21-18-9)6-15(20)19-5-4-14-12(8-19)7-16-11(3)17-14/h7H,4-6,8H2,1-3H3
InChIKeyJEGAGCJZJNNBNZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.52
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone (PubChem CID 75461173) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
PubChem CID75461173
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
SMILESCc1ncc2c(n1)CCN(C(=O)Cc1c(C)noc1C)C2
InChIInChI=1S/C15H18N4O2/c1-9-13(10(2)21-18-9)6-15(20)19-5-4-14-12(8-19)7-16-11(3)17-14/h7H,4-6,8H2,1-3H3
InChIKeyJEGAGCJZJNNBNZ-UHFFFAOYSA-N
XLogP1.52
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone (CID 75461173) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone is Cc1ncc2c(n1)CCN(C(=O)Cc1c(C)noc1C)C2.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The InChIKey is JEGAGCJZJNNBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-13(10(2)21-18-9)6-15(20)19-5-4-14-12(8-19)7-16-11(3)17-14/h7H,4-6,8H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone has a molecular weight of 286.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 75461173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).