5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C17H13ClN4O3 — CID 22575316

IUPAC5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1oc(-c2ccccc2Cl)nc1Cn1cnc2onc(C)c2c1=O
InChIInChI=1S/C17H13ClN4O3/c1-9-14-16(25-21-9)19-8-22(17(14)23)7-13-10(2)24-15(20-13)11-5-3-4-6-12(11)18/h3-6,8H,7H2,1-2H3
InChIKeyGORSUIAQGREXBA-UHFFFAOYSA-N
MW356.77 g/mol
LogP3.36
Rot. Bonds3

About 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 22575316) has the molecular formula C17H13ClN4O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID22575316
Molecular FormulaC17H13ClN4O3
Molecular Weight356.77 g/mol
Exact Mass356.07
IUPAC Name5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1oc(-c2ccccc2Cl)nc1Cn1cnc2onc(C)c2c1=O
InChIInChI=1S/C17H13ClN4O3/c1-9-14-16(25-21-9)19-8-22(17(14)23)7-13-10(2)24-15(20-13)11-5-3-4-6-12(11)18/h3-6,8H,7H2,1-2H3
InChIKeyGORSUIAQGREXBA-UHFFFAOYSA-N
XLogP3.36
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 22575316) is 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one is Cc1oc(-c2ccccc2Cl)nc1Cn1cnc2onc(C)c2c1=O.
What is the InChIKey of 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GORSUIAQGREXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3/c1-9-14-16(25-21-9)19-8-22(17(14)23)7-13-10(2)24-15(20-13)11-5-3-4-6-12(11)18/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 356.77 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 22575316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).