2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one

C13H15N3O3 — CID 116980876

IUPAC2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C3CN(C)C(=O)N3)cc2NC1=O
InChIInChI=1S/C13H15N3O3/c1-7-12(17)14-9-5-8(3-4-11(9)19-7)10-6-16(2)13(18)15-10/h3-5,7,10H,6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyGATZZTIJGVAJNN-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one

2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 116980876) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one
PubChem CID116980876
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C3CN(C)C(=O)N3)cc2NC1=O
InChIInChI=1S/C13H15N3O3/c1-7-12(17)14-9-5-8(3-4-11(9)19-7)10-6-16(2)13(18)15-10/h3-5,7,10H,6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyGATZZTIJGVAJNN-UHFFFAOYSA-N
XLogP1.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-pyrrolidin-2-yl-4H-1,4-benzoxazin-3-one
CID 82279475
4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one
CID 24973439
2-methyl-7-pyrrolidin-3-yl-4H-1,4-benzoxazin-3-one
CID 84795362
2-methyl-6-methylsulfanyl-4H-1,4-benzoxazin-3-one
CID 82355440
6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82498131
6-[amino(cyclopentyl)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82500530
6-(cyclopropylmethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43685723
6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 110830655
2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 110770503
2-methyl-6-(oxane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 62213155
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110683016

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one (CID 116980876) is 2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(C3CN(C)C(=O)N3)cc2NC1=O.
What is the InChIKey of 2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is GATZZTIJGVAJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-12(17)14-9-5-8(3-4-11(9)19-7)10-6-16(2)13(18)15-10/h3-5,7,10H,6H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one?
2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 261.28 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methyl-2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 116980876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).