N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

C20H20N2O6 — CID 3242624

IUPACN,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC
InChIInChI=1S/C20H20N2O6/c1-24-15-7-5-12(9-18(15)26-3)17-11-14(22-28-17)20(23)21-13-6-8-16(25-2)19(10-13)27-4/h5-11H,1-4H3,(H,21,23)
InChIKeyDOYDIEWICLNTSA-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.63
Rot. Bonds7

About N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3242624) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3242624
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC NameN,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC
InChIInChI=1S/C20H20N2O6/c1-24-15-7-5-12(9-18(15)26-3)17-11-14(22-28-17)20(23)21-13-6-8-16(25-2)19(10-13)27-4/h5-11H,1-4H3,(H,21,23)
InChIKeyDOYDIEWICLNTSA-UHFFFAOYSA-N
XLogP3.63
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
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
N-allyl-5-(1,3-benzodioxol-5-yl)isoxazole-3-carboxamide
CID 3423164
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
5-(1,3-benzodioxol-5-yl)-N-(sec-butyl)isoxazole-3-carboxamide
CID 3662254
N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685905
N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685908
N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016616
N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016617
N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5017077
5-(1,3-benzodioxol-5-yl)-N-isopropyl-3-isoxazolecarboxamide
CID 5052952

Frequently Asked Questions

What is the IUPAC name of N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3242624) is N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC.
What is the InChIKey of N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DOYDIEWICLNTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-24-15-7-5-12(9-18(15)26-3)17-11-14(22-28-17)20(23)21-13-6-8-16(25-2)19(10-13)27-4/h5-11H,1-4H3,(H,21,23).
What are the key properties of N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3242624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).