6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C16H18N2O3 — CID 123755535

IUPAC6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCCc1cn2c(nc1=O)OC(COc1cccc(C)c1)C2
InChIInChI=1S/C16H18N2O3/c1-3-12-8-18-9-14(21-16(18)17-15(12)19)10-20-13-6-4-5-11(2)7-13/h4-8,14H,3,9-10H2,1-2H3
InChIKeyKLDRPYJTTMWZDO-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.95
Rot. Bonds4

About 6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 123755535) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID123755535
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCCc1cn2c(nc1=O)OC(COc1cccc(C)c1)C2
InChIInChI=1S/C16H18N2O3/c1-3-12-8-18-9-14(21-16(18)17-15(12)19)10-20-13-6-4-5-11(2)7-13/h4-8,14H,3,9-10H2,1-2H3
InChIKeyKLDRPYJTTMWZDO-UHFFFAOYSA-N
XLogP1.95
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 123755535) is 6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is CCc1cn2c(nc1=O)OC(COc1cccc(C)c1)C2.
What is the InChIKey of 6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is KLDRPYJTTMWZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-12-8-18-9-14(21-16(18)17-15(12)19)10-20-13-6-4-5-11(2)7-13/h4-8,14H,3,9-10H2,1-2H3.
What are the key properties of 6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 286.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 123755535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).