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

C19H18N2O5 — CID 3245004

IUPACN-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(OC)c(OC)c3)no2)c1
InChIInChI=1S/C19H18N2O5/c1-23-14-6-4-5-12(9-14)17-11-15(21-26-17)19(22)20-13-7-8-16(24-2)18(10-13)25-3/h4-11H,1-3H3,(H,20,22)
InChIKeyJSBZYGJYSRUBFM-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.62
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3245004) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3245004
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(OC)c(OC)c3)no2)c1
InChIInChI=1S/C19H18N2O5/c1-23-14-6-4-5-12(9-14)17-11-15(21-26-17)19(22)20-13-7-8-16(24-2)18(10-13)25-3/h4-11H,1-3H3,(H,20,22)
InChIKeyJSBZYGJYSRUBFM-UHFFFAOYSA-N
XLogP3.62
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3245004) is N-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccc(OC)c(OC)c3)no2)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JSBZYGJYSRUBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-23-14-6-4-5-12(9-14)17-11-15(21-26-17)19(22)20-13-7-8-16(24-2)18(10-13)25-3/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3245004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).