3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide

C10H11N3O2S — CID 75461199

IUPAC3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1nccs1
InChIInChI=1S/C10H11N3O2S/c1-6-9(7(2)15-13-6)10(14)12-5-8-11-3-4-16-8/h3-4H,5H2,1-2H3,(H,12,14)
InChIKeyJZOXATDZHYRJDS-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.68
Rot. Bonds3

About 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 75461199) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID75461199
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1nccs1
InChIInChI=1S/C10H11N3O2S/c1-6-9(7(2)15-13-6)10(14)12-5-8-11-3-4-16-8/h3-4H,5H2,1-2H3,(H,12,14)
InChIKeyJZOXATDZHYRJDS-UHFFFAOYSA-N
XLogP1.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 139007746
2,6-dihydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113346793
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356765
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469
4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62686742
2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81312082
N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide
CID 130634316
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2225489
2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide
CID 106686593
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 75461199) is 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1nccs1.
What is the InChIKey of 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is JZOXATDZHYRJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-6-9(7(2)15-13-6)10(14)12-5-8-11-3-4-16-8/h3-4H,5H2,1-2H3,(H,12,14).
What are the key properties of 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75461199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).