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

C16H15N3O4S — CID 48981792

IUPAC5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ncc(C)s3)no2)c1
InChIInChI=1S/C16H15N3O4S/c1-9-8-17-16(24-9)18-15(20)12-7-14(23-19-12)11-6-10(21-2)4-5-13(11)22-3/h4-8H,1-3H3,(H,17,18,20)
InChIKeyDLGGBJRMXIZNNR-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.38
Rot. Bonds5

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

5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 48981792) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID48981792
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ncc(C)s3)no2)c1
InChIInChI=1S/C16H15N3O4S/c1-9-8-17-16(24-9)18-15(20)12-7-14(23-19-12)11-6-10(21-2)4-5-13(11)22-3/h4-8H,1-3H3,(H,17,18,20)
InChIKeyDLGGBJRMXIZNNR-UHFFFAOYSA-N
XLogP3.38
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 49016837
N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 49081050
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48994582
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
5-(2,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 3674837
ethyl 2-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4-methyl-5-propanoylthiophene-3-carboxylate
CID 17253044
N-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48981217
5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 24608242
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3236902
(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338789

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 48981792) is 5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3ncc(C)s3)no2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is DLGGBJRMXIZNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-9-8-17-16(24-9)18-15(20)12-7-14(23-19-12)11-6-10(21-2)4-5-13(11)22-3/h4-8H,1-3H3,(H,17,18,20).
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 48981792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).