2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one

C25H20N4O3S — CID 16581302

IUPAC2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
SMILESCOc1ccccc1-c1cc(CSc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)on1
InChIInChI=1S/C25H20N4O3S/c1-16-11-12-26-23(13-16)29-24(30)19-8-3-5-9-20(19)27-25(29)33-15-17-14-21(28-32-17)18-7-4-6-10-22(18)31-2/h3-14H,15H2,1-2H3
InChIKeyDBPZOUAMXNQRNM-UHFFFAOYSA-N
MW456.53 g/mol
LogP5.05
Rot. Bonds6

About 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one

2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one (PubChem CID 16581302) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
PubChem CID16581302
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC Name2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
SMILESCOc1ccccc1-c1cc(CSc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)on1
InChIInChI=1S/C25H20N4O3S/c1-16-11-12-26-23(13-16)29-24(30)19-8-3-5-9-20(19)27-25(29)33-15-17-14-21(28-32-17)18-7-4-6-10-22(18)31-2/h3-14H,15H2,1-2H3
InChIKeyDBPZOUAMXNQRNM-UHFFFAOYSA-N
XLogP5.05
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one with MolForge

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Related Compounds

2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 24604128
2-[2-(4-fluorophenoxy)ethylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 40571977
tert-butyl 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 40571999
N-(2-methylpropyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40572002
3-(4-methyl-2-pyridinyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 17404456
3-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 18147411
2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 14575169
3-(2-methoxy-5-methylphenyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 41479726
N-(4-fluorophenyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 55321725
N-(2-chloro-4-methylphenyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112783686
3-(4-methyl-2-pyridinyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one
CID 16625332
3-(4-methyl-2-pyridinyl)-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 17403691

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one?
The IUPAC name of 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one (CID 16581302) is 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one?
The canonical SMILES for 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one is COc1ccccc1-c1cc(CSc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)on1.
What is the InChIKey of 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one?
The InChIKey is DBPZOUAMXNQRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c1-16-11-12-26-23(13-16)29-24(30)19-8-3-5-9-20(19)27-25(29)33-15-17-14-21(28-32-17)18-7-4-6-10-22(18)31-2/h3-14H,15H2,1-2H3.
What are the key properties of 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one?
2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one has a molecular weight of 456.53 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 16581302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).