N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide

C27H23N3O6 — CID 30838985

IUPACN-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)c1
InChIInChI=1S/C27H23N3O6/c1-16-23(17(2)36-30-16)14-33-22-8-3-5-18(11-22)26(31)28-20-6-4-7-21(13-20)29-27(32)19-9-10-24-25(12-19)35-15-34-24/h3-13H,14-15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyRUDYOCIYGOKNIT-UHFFFAOYSA-N
MW485.50 g/mol
LogP5.10
Rot. Bonds7

About N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide

N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 30838985) has the molecular formula C27H23N3O6 and a molecular weight of 485.50 g/mol. Its IUPAC name is N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID30838985
Molecular FormulaC27H23N3O6
Molecular Weight485.50 g/mol
Exact Mass485.16
IUPAC NameN-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)c1
InChIInChI=1S/C27H23N3O6/c1-16-23(17(2)36-30-16)14-33-22-8-3-5-18(11-22)26(31)28-20-6-4-7-21(13-20)29-27(32)19-9-10-24-25(12-19)35-15-34-24/h3-13H,14-15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyRUDYOCIYGOKNIT-UHFFFAOYSA-N
XLogP5.10
TPSA111.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.50
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N'-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401355
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 51306880
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 26380377
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 46417031
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 48584384
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
CID 55804746
methyl 2-chloro-5-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 38236289
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
CID 8839301
N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 39736330
N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46455012
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26249570

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide (CID 30838985) is N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide is Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)c1.
What is the InChIKey of N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is RUDYOCIYGOKNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O6/c1-16-23(17(2)36-30-16)14-33-22-8-3-5-18(11-22)26(31)28-20-6-4-7-21(13-20)29-27(32)19-9-10-24-25(12-19)35-15-34-24/h3-13H,14-15H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 485.50 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 30838985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).