3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one

C18H14N4O2S — CID 35428288

IUPAC3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one
SMILESCn1c(CSc2nnc(-c3ccccc3)o2)nc2ccccc2c1=O
InChIInChI=1S/C18H14N4O2S/c1-22-15(19-14-10-6-5-9-13(14)17(22)23)11-25-18-21-20-16(24-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyUEAWTCOCSSXHCQ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.28
Rot. Bonds4

About 3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one

3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one (PubChem CID 35428288) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one
PubChem CID35428288
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one
SMILESCn1c(CSc2nnc(-c3ccccc3)o2)nc2ccccc2c1=O
InChIInChI=1S/C18H14N4O2S/c1-22-15(19-14-10-6-5-9-13(14)17(22)23)11-25-18-21-20-16(24-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyUEAWTCOCSSXHCQ-UHFFFAOYSA-N
XLogP3.28
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one (CID 35428288) is 3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one is Cn1c(CSc2nnc(-c3ccccc3)o2)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one?
The InChIKey is UEAWTCOCSSXHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-22-15(19-14-10-6-5-9-13(14)17(22)23)11-25-18-21-20-16(24-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one?
3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one has a molecular weight of 350.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one is sourced from PubChem (CID 35428288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).