(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one

C22H23N3O2 — CID 122164734

IUPAC(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one
SMILESCC[C@@H]1C(=O)Nc2ccc(-c3c(C)noc3C)cc2N1Cc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-4-19-22(26)23-18-11-10-17(21-14(2)24-27-15(21)3)12-20(18)25(19)13-16-8-6-5-7-9-16/h5-12,19H,4,13H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyFTUXRCDIARSCJM-LJQANCHMSA-N
MW361.45 g/mol
LogP4.70
Rot. Bonds4

About (3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one

(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one (PubChem CID 122164734) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one
PubChem CID122164734
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one
SMILESCC[C@@H]1C(=O)Nc2ccc(-c3c(C)noc3C)cc2N1Cc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-4-19-22(26)23-18-11-10-17(21-14(2)24-27-15(21)3)12-20(18)25(19)13-16-8-6-5-7-9-16/h5-12,19H,4,13H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyFTUXRCDIARSCJM-LJQANCHMSA-N
XLogP4.70
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one (CID 122164734) is (3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one is CC[C@@H]1C(=O)Nc2ccc(-c3c(C)noc3C)cc2N1Cc1ccccc1.
What is the InChIKey of (3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is FTUXRCDIARSCJM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-19-22(26)23-18-11-10-17(21-14(2)24-27-15(21)3)12-20(18)25(19)13-16-8-6-5-7-9-16/h5-12,19H,4,13H2,1-3H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one?
(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 361.45 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 122164734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).