6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one

C20H13ClN4O3 — CID 154834427

IUPAC6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2cc(Cl)ccc2n1CCc1nc(-c2cccc3ncccc23)no1
InChIInChI=1S/C20H13ClN4O3/c21-12-6-7-16-17(11-12)27-20(26)25(16)10-8-18-23-19(24-28-18)14-3-1-5-15-13(14)4-2-9-22-15/h1-7,9,11H,8,10H2
InChIKeyRBYPNKZHGXDQST-UHFFFAOYSA-N
MW392.80 g/mol
LogP4.09
Rot. Bonds4

About 6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one

6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one (PubChem CID 154834427) has the molecular formula C20H13ClN4O3 and a molecular weight of 392.80 g/mol. Its IUPAC name is 6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one
PubChem CID154834427
Molecular FormulaC20H13ClN4O3
Molecular Weight392.80 g/mol
Exact Mass392.07
IUPAC Name6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2cc(Cl)ccc2n1CCc1nc(-c2cccc3ncccc23)no1
InChIInChI=1S/C20H13ClN4O3/c21-12-6-7-16-17(11-12)27-20(26)25(16)10-8-18-23-19(24-28-18)14-3-1-5-15-13(14)4-2-9-22-15/h1-7,9,11H,8,10H2
InChIKeyRBYPNKZHGXDQST-UHFFFAOYSA-N
XLogP4.09
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one (CID 154834427) is 6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one is O=c1oc2cc(Cl)ccc2n1CCc1nc(-c2cccc3ncccc23)no1.
What is the InChIKey of 6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is RBYPNKZHGXDQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O3/c21-12-6-7-16-17(11-12)27-20(26)25(16)10-8-18-23-19(24-28-18)14-3-1-5-15-13(14)4-2-9-22-15/h1-7,9,11H,8,10H2.
What are the key properties of 6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one?
6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 392.80 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 154834427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).