N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C19H18N2O4 — CID 60525056

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCCO2)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C19H18N2O4/c22-19(15-12-17(25-21-15)13-5-2-1-3-6-13)20-14-7-8-16-18(11-14)24-10-4-9-23-16/h1-3,5-8,11,17H,4,9-10,12H2,(H,20,22)
InChIKeyXQJFRDCESVSROF-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.30
Rot. Bonds3

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 60525056) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID60525056
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCCO2)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C19H18N2O4/c22-19(15-12-17(25-21-15)13-5-2-1-3-6-13)20-14-7-8-16-18(11-14)24-10-4-9-23-16/h1-3,5-8,11,17H,4,9-10,12H2,(H,20,22)
InChIKeyXQJFRDCESVSROF-UHFFFAOYSA-N
XLogP3.30
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167979333
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55865249
(3S)-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999402
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8900193
6-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151460
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylsulfanylbenzamide
CID 42125647
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(phenylsulfamoyl)benzamide
CID 26712382
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide
CID 26070603
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151458
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-2-carboxamide
CID 104740829
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylsulfanylacetamide
CID 26712232
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46563844

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 60525056) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCCCO2)C1=NOC(c2ccccc2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is XQJFRDCESVSROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-19(15-12-17(25-21-15)13-5-2-1-3-6-13)20-14-7-8-16-18(11-14)24-10-4-9-23-16/h1-3,5-8,11,17H,4,9-10,12H2,(H,20,22).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60525056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).