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

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

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Related Compounds

3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-one
CID 155952188
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 46691435
3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one
CID 18282371
2-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]phenyl]benzonitrile
CID 43042621
3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 38873758
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26662916
4-chloro-N'-[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]benzohydrazide
CID 26721007
N-(5-chloro-2-pyridinyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51250651
N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38966923
3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 38966908
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 46582960
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one
CID 46484281

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).