2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one

C20H18N4O3S — CID 36791464

IUPAC2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one
SMILESCCOc1ccccc1-c1nnc(SCc2nc3ccccc3c(=O)n2C)o1
InChIInChI=1S/C20H18N4O3S/c1-3-26-16-11-7-5-9-14(16)18-22-23-20(27-18)28-12-17-21-15-10-6-4-8-13(15)19(25)24(17)2/h4-11H,3,12H2,1-2H3
InChIKeyZAKUDXQQZURGIB-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.67
Rot. Bonds6

About 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one

2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one (PubChem CID 36791464) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one
PubChem CID36791464
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one
SMILESCCOc1ccccc1-c1nnc(SCc2nc3ccccc3c(=O)n2C)o1
InChIInChI=1S/C20H18N4O3S/c1-3-26-16-11-7-5-9-14(16)18-22-23-20(27-18)28-12-17-21-15-10-6-4-8-13(15)19(25)24(17)2/h4-11H,3,12H2,1-2H3
InChIKeyZAKUDXQQZURGIB-UHFFFAOYSA-N
XLogP3.67
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one with MolForge

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Related Compounds

3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one
CID 35428288
3-methyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinazolin-4-one
CID 38843156
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 135909169
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,3,4-oxadiazole
CID 39534012
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone
CID 18192530
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(2-phenylethyl)quinazolin-4-one
CID 17432170
2-(4-chlorophenyl)-5-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 31759028
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-ynylacetamide
CID 78815026
N-[(2R)-butan-2-yl]-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 26368493
3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one
CID 86790554
ethyl 4-[2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
CID 18192531
2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 47773535

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one (CID 36791464) is 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one is CCOc1ccccc1-c1nnc(SCc2nc3ccccc3c(=O)n2C)o1.
What is the InChIKey of 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one?
The InChIKey is ZAKUDXQQZURGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-3-26-16-11-7-5-9-14(16)18-22-23-20(27-18)28-12-17-21-15-10-6-4-8-13(15)19(25)24(17)2/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one?
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one has a molecular weight of 394.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 36791464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).