3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione

C19H18N4O3S — CID 30850229

IUPAC3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione
SMILESCC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3cccs3)no2)c1=O
InChIInChI=1S/C19H18N4O3S/c1-12(2)10-23-18(24)13-6-3-4-7-14(13)22(19(23)25)11-16-20-17(21-26-16)15-8-5-9-27-15/h3-9,12H,10-11H2,1-2H3
InChIKeyGPLQLFBUBCPBBR-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.98
Rot. Bonds5

About 3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione

3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione (PubChem CID 30850229) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione
PubChem CID30850229
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione
SMILESCC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3cccs3)no2)c1=O
InChIInChI=1S/C19H18N4O3S/c1-12(2)10-23-18(24)13-6-3-4-7-14(13)22(19(23)25)11-16-20-17(21-26-16)15-8-5-9-27-15/h3-9,12H,10-11H2,1-2H3
InChIKeyGPLQLFBUBCPBBR-UHFFFAOYSA-N
XLogP2.98
TPSA82.92 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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione (CID 30850229) is 3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione is CC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3cccs3)no2)c1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione?
The InChIKey is GPLQLFBUBCPBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12(2)10-23-18(24)13-6-3-4-7-14(13)22(19(23)25)11-16-20-17(21-26-16)15-8-5-9-27-15/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione?
3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione has a molecular weight of 382.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 30850229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).