N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

C17H20N2O4 — CID 4053938

IUPACN-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2noc3c2CCCCC3)c(OC)c1
InChIInChI=1S/C17H20N2O4/c1-21-11-8-9-13(15(10-11)22-2)18-17(20)16-12-6-4-3-5-7-14(12)23-19-16/h8-10H,3-7H2,1-2H3,(H,18,20)
InChIKeyKUVRDLQIFBERHQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.21
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (PubChem CID 4053938) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
PubChem CID4053938
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2noc3c2CCCCC3)c(OC)c1
InChIInChI=1S/C17H20N2O4/c1-21-11-8-9-13(15(10-11)22-2)18-17(20)16-12-6-4-3-5-7-14(12)23-19-16/h8-10H,3-7H2,1-2H3,(H,18,20)
InChIKeyKUVRDLQIFBERHQ-UHFFFAOYSA-N
XLogP3.21
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
N-(2,4-Dimethoxyphenyl)-5-(propan-2-YL)-1,2-oxazole-3-carboxamide
CID 5308940
2-(5-Dodecyl-isoxazol-3-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 9984681
2-(3-Dodecyl-isoxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10075862
2-(3-Dodecyl-isoxazol-5-yl)-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10695292
N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 17252840
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093729
N-(3-acetylphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 3238813
5-(2-methoxyphenyl)-N-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 3243863
N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 4257437

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (CID 4053938) is N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is COc1ccc(NC(=O)c2noc3c2CCCCC3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The InChIKey is KUVRDLQIFBERHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-11-8-9-13(15(10-11)22-2)18-17(20)16-12-6-4-3-5-7-14(12)23-19-16/h8-10H,3-7H2,1-2H3,(H,18,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 4053938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).