[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate

C19H13ClN4O4 — CID 7994848

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(Cn1cnc2ccccc2c1=O)OCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H13ClN4O4/c20-13-7-5-12(6-8-13)18-23-22-16(28-18)10-27-17(25)9-24-11-21-15-4-2-1-3-14(15)19(24)26/h1-8,11H,9-10H2
InChIKeyZNIXPYDOJUILOJ-UHFFFAOYSA-N
MW396.79 g/mol
LogP2.84
Rot. Bonds5

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 7994848) has the molecular formula C19H13ClN4O4 and a molecular weight of 396.79 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID7994848
Molecular FormulaC19H13ClN4O4
Molecular Weight396.79 g/mol
Exact Mass396.06
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(Cn1cnc2ccccc2c1=O)OCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H13ClN4O4/c20-13-7-5-12(6-8-13)18-23-22-16(28-18)10-27-17(25)9-24-11-21-15-4-2-1-3-14(15)19(24)26/h1-8,11H,9-10H2
InChIKeyZNIXPYDOJUILOJ-UHFFFAOYSA-N
XLogP2.84
TPSA100.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.79
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate (CID 7994848) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate is O=C(Cn1cnc2ccccc2c1=O)OCc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is ZNIXPYDOJUILOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O4/c20-13-7-5-12(6-8-13)18-23-22-16(28-18)10-27-17(25)9-24-11-21-15-4-2-1-3-14(15)19(24)26/h1-8,11H,9-10H2.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 396.79 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7994848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).