(3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one

C23H25N3O3 — CID 122164732

IUPAC(3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one
SMILESCOc1ccc(CN2c3cc(-c4c(C)noc4C)ccc3N(C)C(=O)[C@H]2C)cc1
InChIInChI=1S/C23H25N3O3/c1-14-22(16(3)29-24-14)18-8-11-20-21(12-18)26(15(2)23(27)25(20)4)13-17-6-9-19(28-5)10-7-17/h6-12,15H,13H2,1-5H3/t15-/m1/s1
InChIKeyROGPTQRLOXEVMW-OAHLLOKOSA-N
MW391.47 g/mol
LogP4.34
Rot. Bonds4

About (3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one

(3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one (PubChem CID 122164732) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one
PubChem CID122164732
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one
SMILESCOc1ccc(CN2c3cc(-c4c(C)noc4C)ccc3N(C)C(=O)[C@H]2C)cc1
InChIInChI=1S/C23H25N3O3/c1-14-22(16(3)29-24-14)18-8-11-20-21(12-18)26(15(2)23(27)25(20)4)13-17-6-9-19(28-5)10-7-17/h6-12,15H,13H2,1-5H3/t15-/m1/s1
InChIKeyROGPTQRLOXEVMW-OAHLLOKOSA-N
XLogP4.34
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one?
The IUPAC name of (3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one (CID 122164732) is (3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one.
What is the SMILES notation for (3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one?
The canonical SMILES for (3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one is COc1ccc(CN2c3cc(-c4c(C)noc4C)ccc3N(C)C(=O)[C@H]2C)cc1.
What is the InChIKey of (3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one?
The InChIKey is ROGPTQRLOXEVMW-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-14-22(16(3)29-24-14)18-8-11-20-21(12-18)26(15(2)23(27)25(20)4)13-17-6-9-19(28-5)10-7-17/h6-12,15H,13H2,1-5H3/t15-/m1/s1.
What are the key properties of (3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one?
(3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one has a molecular weight of 391.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one is sourced from PubChem (CID 122164732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).