2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine

C16H19N3O2 — CID 126651414

IUPAC2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESc1ccc2c(c1)OCc1nc(CCN3CCOCC3)cn1-2
InChIInChI=1S/C16H19N3O2/c1-2-4-15-14(3-1)19-11-13(17-16(19)12-21-15)5-6-18-7-9-20-10-8-18/h1-4,11H,5-10,12H2
InChIKeyNHBUSXZGRBNIKR-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.64
Rot. Bonds3

About 2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine

2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine (PubChem CID 126651414) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
PubChem CID126651414
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESc1ccc2c(c1)OCc1nc(CCN3CCOCC3)cn1-2
InChIInChI=1S/C16H19N3O2/c1-2-4-15-14(3-1)19-11-13(17-16(19)12-21-15)5-6-18-7-9-20-10-8-18/h1-4,11H,5-10,12H2
InChIKeyNHBUSXZGRBNIKR-UHFFFAOYSA-N
XLogP1.64
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine (CID 126651414) is 2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine is c1ccc2c(c1)OCc1nc(CCN3CCOCC3)cn1-2.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine?
The InChIKey is NHBUSXZGRBNIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-4-15-14(3-1)19-11-13(17-16(19)12-21-15)5-6-18-7-9-20-10-8-18/h1-4,11H,5-10,12H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine?
2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine has a molecular weight of 285.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 126651414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).