2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide

C18H16ClN3O3 — CID 22752282

IUPAC2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide
SMILESNC(=O)CN1CC2C(c3ccccc3)Oc3ccc(Cl)cc3N2C1=O
InChIInChI=1S/C18H16ClN3O3/c19-12-6-7-15-13(8-12)22-14(9-21(18(22)24)10-16(20)23)17(25-15)11-4-2-1-3-5-11/h1-8,14,17H,9-10H2,(H2,20,23)
InChIKeyQNFVFJWBKNEUDM-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.57
Rot. Bonds3

About 2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide

2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide (PubChem CID 22752282) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide
PubChem CID22752282
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide
SMILESNC(=O)CN1CC2C(c3ccccc3)Oc3ccc(Cl)cc3N2C1=O
InChIInChI=1S/C18H16ClN3O3/c19-12-6-7-15-13(8-12)22-14(9-21(18(22)24)10-16(20)23)17(25-15)11-4-2-1-3-5-11/h1-8,14,17H,9-10H2,(H2,20,23)
InChIKeyQNFVFJWBKNEUDM-UHFFFAOYSA-N
XLogP2.57
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide?
The IUPAC name of 2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide (CID 22752282) is 2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide.
What is the SMILES notation for 2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide?
The canonical SMILES for 2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide is NC(=O)CN1CC2C(c3ccccc3)Oc3ccc(Cl)cc3N2C1=O.
What is the InChIKey of 2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide?
The InChIKey is QNFVFJWBKNEUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c19-12-6-7-15-13(8-12)22-14(9-21(18(22)24)10-16(20)23)17(25-15)11-4-2-1-3-5-11/h1-8,14,17H,9-10H2,(H2,20,23).
What are the key properties of 2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide?
2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide is sourced from PubChem (CID 22752282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).