4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one

C16H19N5O3 — CID 124616880

IUPAC4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1nc(CN(C)[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)no1
InChIInChI=1S/C16H19N5O3/c1-10(20(3)8-14-17-11(2)24-19-14)16(23)21-9-15(22)18-12-6-4-5-7-13(12)21/h4-7,10H,8-9H2,1-3H3,(H,18,22)/t10-/m1/s1
InChIKeyBBGQHUWHLDOZIR-SNVBAGLBSA-N
MW329.36 g/mol
LogP1.18
Rot. Bonds4

About 4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 124616880) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID124616880
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1nc(CN(C)[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)no1
InChIInChI=1S/C16H19N5O3/c1-10(20(3)8-14-17-11(2)24-19-14)16(23)21-9-15(22)18-12-6-4-5-7-13(12)21/h4-7,10H,8-9H2,1-3H3,(H,18,22)/t10-/m1/s1
InChIKeyBBGQHUWHLDOZIR-SNVBAGLBSA-N
XLogP1.18
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one (CID 124616880) is 4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one is Cc1nc(CN(C)[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)no1.
What is the InChIKey of 4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is BBGQHUWHLDOZIR-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10(20(3)8-14-17-11(2)24-19-14)16(23)21-9-15(22)18-12-6-4-5-7-13(12)21/h4-7,10H,8-9H2,1-3H3,(H,18,22)/t10-/m1/s1.
What are the key properties of 4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 329.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 124616880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).