4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide

C13H11N3O3S — CID 110764062

IUPAC4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
SMILESO=C1CCOc2ccc(C(=O)Nc3nccs3)cc2N1
InChIInChI=1S/C13H11N3O3S/c17-11-3-5-19-10-2-1-8(7-9(10)15-11)12(18)16-13-14-4-6-20-13/h1-2,4,6-7H,3,5H2,(H,15,17)(H,14,16,18)
InChIKeyXPBLDSWBRWHIPR-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.12
Rot. Bonds2

About 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide

4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide (PubChem CID 110764062) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
PubChem CID110764062
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
SMILESO=C1CCOc2ccc(C(=O)Nc3nccs3)cc2N1
InChIInChI=1S/C13H11N3O3S/c17-11-3-5-19-10-2-1-8(7-9(10)15-11)12(18)16-13-14-4-6-20-13/h1-2,4,6-7H,3,5H2,(H,15,17)(H,14,16,18)
InChIKeyXPBLDSWBRWHIPR-UHFFFAOYSA-N
XLogP2.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide
CID 110683129
4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
CID 110759128
N-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764030
N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778271
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-(2-methylsulfanylethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 138742180
4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
CID 110793054
7-(cyclopropanecarbonyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231376
3-chloro-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
CID 110778268
N-[(4-chlorophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763970
N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084
4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763952

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide?
The IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide (CID 110764062) is 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide.
What is the SMILES notation for 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide?
The canonical SMILES for 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide is O=C1CCOc2ccc(C(=O)Nc3nccs3)cc2N1.
What is the InChIKey of 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide?
The InChIKey is XPBLDSWBRWHIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-11-3-5-19-10-2-1-8(7-9(10)15-11)12(18)16-13-14-4-6-20-13/h1-2,4,6-7H,3,5H2,(H,15,17)(H,14,16,18).
What are the key properties of 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide?
4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide is sourced from PubChem (CID 110764062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).