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

C12H12N2O4 — CID 2471358

IUPACN-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccno2)c1
InChIInChI=1S/C12H12N2O4/c1-16-8-3-4-10(17-2)9(7-8)14-12(15)11-5-6-13-18-11/h3-7H,1-2H3,(H,14,15)
InChIKeyDQAHVYDLBOHUNS-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.94
Rot. Bonds4

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

N-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 2471358) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID2471358
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC NameN-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccno2)c1
InChIInChI=1S/C12H12N2O4/c1-16-8-3-4-10(17-2)9(7-8)14-12(15)11-5-6-13-18-11/h3-7H,1-2H3,(H,14,15)
InChIKeyDQAHVYDLBOHUNS-UHFFFAOYSA-N
XLogP1.94
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 7726776
N-(3,4-dimethoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 17095589
N-(4-chloro-2,5-dimethoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 17095590
3-Isoxazolecarboxamide, N-(2,5-dimethoxyphenyl)-5-methyl-
CID 3073019
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 8003046
N-(2,5-diethoxyphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 16027252
N-(2,5-Dimethoxyphenyl)-5-[(pyrrolidin-1-YL)methyl]-1,2-oxazole-3-carboxamide
CID 16027280
2,5-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline
CID 53529259
3-methoxy-N-(2-(trifluoromethoxy)phenyl)isoxazole-5-carboxamide
CID 71802481
N-(2-methoxy-5-nitrophenyl)isoxazole-5-carboxamide
CID 18587290
N-(2-methoxy-4-nitrophenyl)isoxazole-5-carboxamide
CID 18587291
N-(4-methoxy-3-(2-oxopiperidin-1-yl)phenyl)isoxazole-5-carboxamide
CID 45576321

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide (CID 2471358) is N-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide is COc1ccc(OC)c(NC(=O)c2ccno2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is DQAHVYDLBOHUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-16-8-3-4-10(17-2)9(7-8)14-12(15)11-5-6-13-18-11/h3-7H,1-2H3,(H,14,15).
What are the key properties of N-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide?
N-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 1.94, 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)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2471358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).