2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide

C20H21N3O4 — CID 22752670

IUPAC2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide
SMILESCOc1ccccc1C1(C)Oc2ccccc2N2C(=O)N(CC(N)=O)CC21
InChIInChI=1S/C20H21N3O4/c1-20(13-7-3-5-9-15(13)26-2)17-11-22(12-18(21)24)19(25)23(17)14-8-4-6-10-16(14)27-20/h3-10,17H,11-12H2,1-2H3,(H2,21,24)
InChIKeyRUTAQGFNQZAMRX-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.10
Rot. Bonds4

About 2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide

2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide (PubChem CID 22752670) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide
PubChem CID22752670
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide
SMILESCOc1ccccc1C1(C)Oc2ccccc2N2C(=O)N(CC(N)=O)CC21
InChIInChI=1S/C20H21N3O4/c1-20(13-7-3-5-9-15(13)26-2)17-11-22(12-18(21)24)19(25)23(17)14-8-4-6-10-16(14)27-20/h3-10,17H,11-12H2,1-2H3,(H2,21,24)
InChIKeyRUTAQGFNQZAMRX-UHFFFAOYSA-N
XLogP2.10
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide (CID 22752670) is 2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide is COc1ccccc1C1(C)Oc2ccccc2N2C(=O)N(CC(N)=O)CC21.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide?
The InChIKey is RUTAQGFNQZAMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-20(13-7-3-5-9-15(13)26-2)17-11-22(12-18(21)24)19(25)23(17)14-8-4-6-10-16(14)27-20/h3-10,17H,11-12H2,1-2H3,(H2,21,24).
What are the key properties of 2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide?
2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide is sourced from PubChem (CID 22752670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).