(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate

C16H13ClN2O5 — CID 20946579

IUPAC(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate
SMILESCc1cc2nc(COC(=O)COc3ccccc3Cl)cc(=O)n2o1
InChIInChI=1S/C16H13ClN2O5/c1-10-6-14-18-11(7-15(20)19(14)24-10)8-23-16(21)9-22-13-5-3-2-4-12(13)17/h2-7H,8-9H2,1H3
InChIKeyOOLXYOOXSCZVAR-UHFFFAOYSA-N
MW348.74 g/mol
LogP2.37
Rot. Bonds5

About (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate (PubChem CID 20946579) has the molecular formula C16H13ClN2O5 and a molecular weight of 348.74 g/mol. Its IUPAC name is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate
PubChem CID20946579
Molecular FormulaC16H13ClN2O5
Molecular Weight348.74 g/mol
Exact Mass348.05
IUPAC Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate
SMILESCc1cc2nc(COC(=O)COc3ccccc3Cl)cc(=O)n2o1
InChIInChI=1S/C16H13ClN2O5/c1-10-6-14-18-11(7-15(20)19(14)24-10)8-23-16(21)9-22-13-5-3-2-4-12(13)17/h2-7H,8-9H2,1H3
InChIKeyOOLXYOOXSCZVAR-UHFFFAOYSA-N
XLogP2.37
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate
CID 20946578
N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(2-methylphenoxy)acetamide
CID 50806051
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-phenylbutanoate
CID 20946594
2,2-dimethyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]propanamide
CID 50744309
N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(2-methylphenoxy)acetamide
CID 20874383
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[[2-(2-methylphenoxy)acetyl]amino]benzoate
CID 50794082
N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide
CID 50744304
N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxyacetamide
CID 20874382
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732300
2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
CID 50764217
4-tert-butyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
CID 50744265
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-benzamidobenzoate
CID 46343602

Frequently Asked Questions

What is the IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate?
The IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate (CID 20946579) is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate?
The canonical SMILES for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate is Cc1cc2nc(COC(=O)COc3ccccc3Cl)cc(=O)n2o1.
What is the InChIKey of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate?
The InChIKey is OOLXYOOXSCZVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O5/c1-10-6-14-18-11(7-15(20)19(14)24-10)8-23-16(21)9-22-13-5-3-2-4-12(13)17/h2-7H,8-9H2,1H3.
What are the key properties of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate?
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate has a molecular weight of 348.74 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 20946579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).