N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide

C20H17N3O3 — CID 172566263

IUPACN-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCC2)c1ccc2c(c1)-c1cncn1CCO2
InChIInChI=1S/C20H17N3O3/c24-20(22-15-3-1-13-5-7-25-19(13)10-15)14-2-4-18-16(9-14)17-11-21-12-23(17)6-8-26-18/h1-4,9-12H,5-8H2,(H,22,24)
InChIKeyCTLFIWNTTZJLJT-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.13
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide

N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide (PubChem CID 172566263) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
PubChem CID172566263
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCC2)c1ccc2c(c1)-c1cncn1CCO2
InChIInChI=1S/C20H17N3O3/c24-20(22-15-3-1-13-5-7-25-19(13)10-15)14-2-4-18-16(9-14)17-11-21-12-23(17)6-8-26-18/h1-4,9-12H,5-8H2,(H,22,24)
InChIKeyCTLFIWNTTZJLJT-UHFFFAOYSA-N
XLogP3.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide with MolForge

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Related Compounds

tert-butyl 5-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carbonylamino)-1,3-dihydroisoindole-2-carboxylate
CID 172566428
N-[2-[3-(difluoromethyl)azetidin-1-yl]pyrimidin-5-yl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
CID 172566310
N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
CID 172566337
N-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
CID 172566384
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4071661
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55891126
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 131890028
N-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38559127
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62198465

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide (CID 172566263) is N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide is O=C(Nc1ccc2c(c1)OCC2)c1ccc2c(c1)-c1cncn1CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide?
The InChIKey is CTLFIWNTTZJLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-20(22-15-3-1-13-5-7-25-19(13)10-15)14-2-4-18-16(9-14)17-11-21-12-23(17)6-8-26-18/h1-4,9-12H,5-8H2,(H,22,24).
What are the key properties of N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide?
N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide is sourced from PubChem (CID 172566263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).