3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one

C22H21N5O2 — CID 166364313

IUPAC3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1[nH]c2c(cc1-c1noc(CCc3ncc[nH]3)n1)CC(c1ccccc1)CC2
InChIInChI=1S/C22H21N5O2/c28-22-17(21-26-20(29-27-21)9-8-19-23-10-11-24-19)13-16-12-15(6-7-18(16)25-22)14-4-2-1-3-5-14/h1-5,10-11,13,15H,6-9,12H2,(H,23,24)(H,25,28)
InChIKeyNLXHALGFCLFUNA-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.21
Rot. Bonds5

About 3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 166364313) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID166364313
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1[nH]c2c(cc1-c1noc(CCc3ncc[nH]3)n1)CC(c1ccccc1)CC2
InChIInChI=1S/C22H21N5O2/c28-22-17(21-26-20(29-27-21)9-8-19-23-10-11-24-19)13-16-12-15(6-7-18(16)25-22)14-4-2-1-3-5-14/h1-5,10-11,13,15H,6-9,12H2,(H,23,24)(H,25,28)
InChIKeyNLXHALGFCLFUNA-UHFFFAOYSA-N
XLogP3.21
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 166364313) is 3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1[nH]c2c(cc1-c1noc(CCc3ncc[nH]3)n1)CC(c1ccccc1)CC2.
What is the InChIKey of 3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is NLXHALGFCLFUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-22-17(21-26-20(29-27-21)9-8-19-23-10-11-24-19)13-16-12-15(6-7-18(16)25-22)14-4-2-1-3-5-14/h1-5,10-11,13,15H,6-9,12H2,(H,23,24)(H,25,28).
What are the key properties of 3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 387.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 166364313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).