N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide

C17H19N3O3 — CID 172566363

IUPACN-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)c1ccc2c(c1)-n1cncc1CCO2
InChIInChI=1S/C17H19N3O3/c21-17(19-13-2-1-6-22-10-13)12-3-4-16-15(8-12)20-11-18-9-14(20)5-7-23-16/h3-4,8-9,11,13H,1-2,5-7,10H2,(H,19,21)/t13-/m1/s1
InChIKeyYNOLJAGMIKMFDV-CYBMUJFWSA-N
MW313.36 g/mol
LogP1.72
Rot. Bonds2

About N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide

N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide (PubChem CID 172566363) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide
PubChem CID172566363
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)c1ccc2c(c1)-n1cncc1CCO2
InChIInChI=1S/C17H19N3O3/c21-17(19-13-2-1-6-22-10-13)12-3-4-16-15(8-12)20-11-18-9-14(20)5-7-23-16/h3-4,8-9,11,13H,1-2,5-7,10H2,(H,19,21)/t13-/m1/s1
InChIKeyYNOLJAGMIKMFDV-CYBMUJFWSA-N
XLogP1.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dihydroxy-N-(oxan-3-yl)benzamide
CID 103941335
3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide
CID 99816563
1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide
CID 113232784
N-(oxan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 63362128
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124606510
3-(methylamino)-4-nitro-N-(oxan-3-yl)benzamide
CID 63362522
2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide
CID 96526874
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
CID 63362160
N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 63361586
4-(N'-hydroxycarbamimidoyl)-N-(oxan-3-yl)benzamide
CID 76995462

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide?
The IUPAC name of N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide (CID 172566363) is N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide.
What is the SMILES notation for N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide?
The canonical SMILES for N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide is O=C(N[C@@H]1CCCOC1)c1ccc2c(c1)-n1cncc1CCO2.
What is the InChIKey of N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide?
The InChIKey is YNOLJAGMIKMFDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-17(19-13-2-1-6-22-10-13)12-3-4-16-15(8-12)20-11-18-9-14(20)5-7-23-16/h3-4,8-9,11,13H,1-2,5-7,10H2,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide?
N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide is sourced from PubChem (CID 172566363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).