2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one

C25H18ClN3O3 — CID 168552796

IUPAC2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one
SMILESCc1oc(-c2ccccc2Cl)nc1COc1ccccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C25H18ClN3O3/c1-15-21(28-25(32-15)16-8-2-5-11-19(16)26)14-31-22-13-7-4-10-18(22)23-27-20-12-6-3-9-17(20)24(30)29-23/h2-13H,14H2,1H3,(H,27,29,30)
InChIKeyIHWSBPOSIQKWHW-UHFFFAOYSA-N
MW443.89 g/mol
LogP5.79
Rot. Bonds5

About 2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one

2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one (PubChem CID 168552796) has the molecular formula C25H18ClN3O3 and a molecular weight of 443.89 g/mol. Its IUPAC name is 2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one
PubChem CID168552796
Molecular FormulaC25H18ClN3O3
Molecular Weight443.89 g/mol
Exact Mass443.10
IUPAC Name2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one
SMILESCc1oc(-c2ccccc2Cl)nc1COc1ccccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C25H18ClN3O3/c1-15-21(28-25(32-15)16-8-2-5-11-19(16)26)14-31-22-13-7-4-10-18(22)23-27-20-12-6-3-9-17(20)24(30)29-23/h2-13H,14H2,1H3,(H,27,29,30)
InChIKeyIHWSBPOSIQKWHW-UHFFFAOYSA-N
XLogP5.79
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.89
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one (CID 168552796) is 2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one is Cc1oc(-c2ccccc2Cl)nc1COc1ccccc1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one?
The InChIKey is IHWSBPOSIQKWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O3/c1-15-21(28-25(32-15)16-8-2-5-11-19(16)26)14-31-22-13-7-4-10-18(22)23-27-20-12-6-3-9-17(20)24(30)29-23/h2-13H,14H2,1H3,(H,27,29,30).
What are the key properties of 2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one?
2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one has a molecular weight of 443.89 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168552796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).