(4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

C18H14N4O4S — CID 135815771

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESO=C(CCc1nc(-c2ccsc2)no1)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H14N4O4S/c23-16(6-5-15-21-17(22-26-15)11-7-8-27-10-11)25-9-14-19-13-4-2-1-3-12(13)18(24)20-14/h1-4,7-8,10H,5-6,9H2,(H,19,20,24)
InChIKeySNGXPDRWODOXKU-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.71
Rot. Bonds6

About (4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

(4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 135815771) has the molecular formula C18H14N4O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID135815771
Molecular FormulaC18H14N4O4S
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESO=C(CCc1nc(-c2ccsc2)no1)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H14N4O4S/c23-16(6-5-15-21-17(22-26-15)11-7-8-27-10-11)25-9-14-19-13-4-2-1-3-12(13)18(24)20-14/h1-4,7-8,10H,5-6,9H2,(H,19,20,24)
InChIKeySNGXPDRWODOXKU-UHFFFAOYSA-N
XLogP2.71
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate (CID 135815771) is (4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate is O=C(CCc1nc(-c2ccsc2)no1)OCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is SNGXPDRWODOXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S/c23-16(6-5-15-21-17(22-26-15)11-7-8-27-10-11)25-9-14-19-13-4-2-1-3-12(13)18(24)20-14/h1-4,7-8,10H,5-6,9H2,(H,19,20,24).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
(4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 382.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 135815771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).