N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C14H13N3O4 — CID 107468124

IUPACN-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)Nc2c(C#N)cccc2OC)no1
InChIInChI=1S/C14H13N3O4/c1-19-8-10-6-11(17-21-10)14(18)16-13-9(7-15)4-3-5-12(13)20-2/h3-6H,8H2,1-2H3,(H,16,18)
InChIKeyWBQJNDYMGCILAZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.95
Rot. Bonds5

About N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 107468124) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID107468124
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)Nc2c(C#N)cccc2OC)no1
InChIInChI=1S/C14H13N3O4/c1-19-8-10-6-11(17-21-10)14(18)16-13-9(7-15)4-3-5-12(13)20-2/h3-6H,8H2,1-2H3,(H,16,18)
InChIKeyWBQJNDYMGCILAZ-UHFFFAOYSA-N
XLogP1.95
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide
CID 107469830
5-amino-N-(2-cyano-6-methoxyphenyl)pyridine-2-carboxamide
CID 107466429
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107467181
3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide
CID 107468127
2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107466376
3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid
CID 107047018
2-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)pyridine-4-carboxamide
CID 107467795
2-chloro-N-(2-cyano-6-methoxyphenyl)-5-sulfanylbenzamide
CID 107469989
N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 107467761
4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 107466425

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 107468124) is N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)Nc2c(C#N)cccc2OC)no1.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WBQJNDYMGCILAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-19-8-10-6-11(17-21-10)14(18)16-13-9(7-15)4-3-5-12(13)20-2/h3-6H,8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 107468124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).