6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one

C19H18N4O3S — CID 56520825

IUPAC6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(Cc4noc(C(C)C)n4)c(=O)c3s2)cc1
InChIInChI=1S/C19H18N4O3S/c1-11(2)18-21-16(22-26-18)9-23-10-20-14-8-15(27-17(14)19(23)24)12-4-6-13(25-3)7-5-12/h4-8,10-11H,9H2,1-3H3
InChIKeyARNALHADCMIRCQ-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.69
Rot. Bonds5

About 6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one

6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 56520825) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID56520825
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(Cc4noc(C(C)C)n4)c(=O)c3s2)cc1
InChIInChI=1S/C19H18N4O3S/c1-11(2)18-21-16(22-26-18)9-23-10-20-14-8-15(27-17(14)19(23)24)12-4-6-13(25-3)7-5-12/h4-8,10-11H,9H2,1-3H3
InChIKeyARNALHADCMIRCQ-UHFFFAOYSA-N
XLogP3.69
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 56520825) is 6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one is COc1ccc(-c2cc3ncn(Cc4noc(C(C)C)n4)c(=O)c3s2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is ARNALHADCMIRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-11(2)18-21-16(22-26-18)9-23-10-20-14-8-15(27-17(14)19(23)24)12-4-6-13(25-3)7-5-12/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 382.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 56520825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).