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

C15H14N2O4 — CID 110763960

IUPACN-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
SMILESO=C1CCOc2ccc(C(=O)NCc3ccco3)cc2N1
InChIInChI=1S/C15H14N2O4/c18-14-5-7-21-13-4-3-10(8-12(13)17-14)15(19)16-9-11-2-1-6-20-11/h1-4,6,8H,5,7,9H2,(H,16,19)(H,17,18)
InChIKeyKGSCVPAGEFHKRN-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.93
Rot. Bonds3

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

N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide (PubChem CID 110763960) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
PubChem CID110763960
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
SMILESO=C1CCOc2ccc(C(=O)NCc3ccco3)cc2N1
InChIInChI=1S/C15H14N2O4/c18-14-5-7-21-13-4-3-10(8-12(13)17-14)15(19)16-9-11-2-1-6-20-11/h1-4,6,8H,5,7,9H2,(H,16,19)(H,17,18)
InChIKeyKGSCVPAGEFHKRN-UHFFFAOYSA-N
XLogP1.93
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711822
N-[(4-chlorophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763970
N-(2-methylsulfanylethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 138742180
N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 142502464
N-(furan-2-ylmethyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
CID 91946269
4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763952
N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide
CID 59593489
N-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764030
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 31638116
N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
CID 110770722
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide (CID 110763960) is N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide is O=C1CCOc2ccc(C(=O)NCc3ccco3)cc2N1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide?
The InChIKey is KGSCVPAGEFHKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14-5-7-21-13-4-3-10(8-12(13)17-14)15(19)16-9-11-2-1-6-20-11/h1-4,6,8H,5,7,9H2,(H,16,19)(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide?
N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide is sourced from PubChem (CID 110763960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).