2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide

C19H19N3O4 — CID 22752409

IUPAC2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide
SMILESCOc1ccccc1C1Oc2ccccc2N2C(=O)N(CC(N)=O)CC12
InChIInChI=1S/C19H19N3O4/c1-25-15-8-4-2-6-12(15)18-14-10-21(11-17(20)23)19(24)22(14)13-7-3-5-9-16(13)26-18/h2-9,14,18H,10-11H2,1H3,(H2,20,23)
InChIKeyDEGJVEPIJGXUIU-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.92
Rot. Bonds4

About 2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide

2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide (PubChem CID 22752409) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide
PubChem CID22752409
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide
SMILESCOc1ccccc1C1Oc2ccccc2N2C(=O)N(CC(N)=O)CC12
InChIInChI=1S/C19H19N3O4/c1-25-15-8-4-2-6-12(15)18-14-10-21(11-17(20)23)19(24)22(14)13-7-3-5-9-16(13)26-18/h2-9,14,18H,10-11H2,1H3,(H2,20,23)
InChIKeyDEGJVEPIJGXUIU-UHFFFAOYSA-N
XLogP1.92
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.92
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)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide (CID 22752409) is 2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide is COc1ccccc1C1Oc2ccccc2N2C(=O)N(CC(N)=O)CC12.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide?
The InChIKey is DEGJVEPIJGXUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-15-8-4-2-6-12(15)18-14-10-21(11-17(20)23)19(24)22(14)13-7-3-5-9-16(13)26-18/h2-9,14,18H,10-11H2,1H3,(H2,20,23).
What are the key properties of 2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide?
2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 1.92, 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)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide is sourced from PubChem (CID 22752409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).