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

C20H12ClN3O3 — CID 43058473

IUPAC3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2ncn1Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H12ClN3O3/c21-13-7-5-12(6-8-13)19-23-14(10-26-19)9-24-11-22-17-15-3-1-2-4-16(15)27-18(17)20(24)25/h1-8,10-11H,9H2
InChIKeySTAUHBHKICTXKX-UHFFFAOYSA-N
MW377.79 g/mol
LogP4.50
Rot. Bonds3

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

3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 43058473) has the molecular formula C20H12ClN3O3 and a molecular weight of 377.79 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID43058473
Molecular FormulaC20H12ClN3O3
Molecular Weight377.79 g/mol
Exact Mass377.06
IUPAC Name3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2ncn1Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H12ClN3O3/c21-13-7-5-12(6-8-13)19-23-14(10-26-19)9-24-11-22-17-15-3-1-2-4-16(15)27-18(17)20(24)25/h1-8,10-11H,9H2
InChIKeySTAUHBHKICTXKX-UHFFFAOYSA-N
XLogP4.50
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 43058473) is 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1c2oc3ccccc3c2ncn1Cc1coc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is STAUHBHKICTXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN3O3/c21-13-7-5-12(6-8-13)19-23-14(10-26-19)9-24-11-22-17-15-3-1-2-4-16(15)27-18(17)20(24)25/h1-8,10-11H,9H2.
What are the key properties of 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 377.79 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 43058473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).