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

C13H14N2O4 — CID 3073019

IUPACN-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(C)on2)c1
InChIInChI=1S/C13H14N2O4/c1-8-6-11(15-19-8)13(16)14-10-7-9(17-2)4-5-12(10)18-3/h4-7H,1-3H3,(H,14,16)
InChIKeyNUGILKOOJIIMED-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.25
Rot. Bonds4

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

N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 3073019) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID3073019
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC NameN-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(C)on2)c1
InChIInChI=1S/C13H14N2O4/c1-8-6-11(15-19-8)13(16)14-10-7-9(17-2)4-5-12(10)18-3/h4-7H,1-3H3,(H,14,16)
InChIKeyNUGILKOOJIIMED-UHFFFAOYSA-N
XLogP2.25
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-3-isoxazolecarboxamide
CID 6619100
N-(4-chloro-2,5-dimethoxyphenyl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
CID 9550420
N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 7726776
N-(3,4-dimethoxyphenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
CID 20864728
N-(3,4-dimethoxyphenyl)-5-isopropylisoxazole-3-carboxamide
CID 3237246
N-(2,4-Dimethoxyphenyl)-5-(propan-2-YL)-1,2-oxazole-3-carboxamide
CID 5308940
3-Isoxazolecarboxamide, N-(2-methoxyphenyl)-5-methyl-
CID 3021345
N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-3-isoxazolecarboxamide
CID 5307721
5-cyclopropyl-N-(2,4-dimethoxyphenyl)-3-isoxazolecarboxamide
CID 5308816
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5309288
5-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 8001215
N-(4-chloro-2,5-dimethoxyphenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
CID 20864729

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 3073019) is N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(C)on2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is NUGILKOOJIIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-6-11(15-19-8)13(16)14-10-7-9(17-2)4-5-12(10)18-3/h4-7H,1-3H3,(H,14,16).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3073019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).