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

C13H13ClN2O4 — CID 17095590

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)no2)c(OC)cc1Cl
InChIInChI=1S/C13H13ClN2O4/c1-7-4-12(20-16-7)13(17)15-9-6-10(18-2)8(14)5-11(9)19-3/h4-6H,1-3H3,(H,15,17)
InChIKeyJNMHXTKPNYPJFD-UHFFFAOYSA-N
MW296.71 g/mol
LogP2.91
Rot. Bonds4

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

N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 17095590) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID17095590
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)no2)c(OC)cc1Cl
InChIInChI=1S/C13H13ClN2O4/c1-7-4-12(20-16-7)13(17)15-9-6-10(18-2)8(14)5-11(9)19-3/h4-6H,1-3H3,(H,15,17)
InChIKeyJNMHXTKPNYPJFD-UHFFFAOYSA-N
XLogP2.91
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 17095590) is N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide is COc1cc(NC(=O)c2cc(C)no2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is JNMHXTKPNYPJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c1-7-4-12(20-16-7)13(17)15-9-6-10(18-2)8(14)5-11(9)19-3/h4-6H,1-3H3,(H,15,17).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 296.71 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).