3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

C19H13N3O4 — CID 33342432

IUPAC3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2ncn1CCn1c(=O)oc2ccccc21
InChIInChI=1S/C19H13N3O4/c23-18-17-16(12-5-1-3-7-14(12)25-17)20-11-21(18)9-10-22-13-6-2-4-8-15(13)26-19(22)24/h1-8,11H,9-10H2
InChIKeyQFOQKVLPACXPDI-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.75
Rot. Bonds3

About 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 33342432) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID33342432
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC Name3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2ncn1CCn1c(=O)oc2ccccc21
InChIInChI=1S/C19H13N3O4/c23-18-17-16(12-5-1-3-7-14(12)25-17)20-11-21(18)9-10-22-13-6-2-4-8-15(13)26-19(22)24/h1-8,11H,9-10H2
InChIKeyQFOQKVLPACXPDI-UHFFFAOYSA-N
XLogP2.75
TPSA83.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one
CID 33270453
3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)propanamide
CID 51126583
N-(benzimidazol-1-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 34335849
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide
CID 51316282
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 55527065
3-[2-hydroxy-2-(4-methylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 111476407
N-naphthalen-1-yl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808260
N-(2-chlorophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802162
N-(2-bromophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802170
3-[2-(4-fluorophenyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 95332682
N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 111486425
methyl 5-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate
CID 71920876

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 33342432) is 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1c2oc3ccccc3c2ncn1CCn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is QFOQKVLPACXPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c23-18-17-16(12-5-1-3-7-14(12)25-17)20-11-21(18)9-10-22-13-6-2-4-8-15(13)26-19(22)24/h1-8,11H,9-10H2.
What are the key properties of 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 347.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 33342432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).