3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide

C16H15N3O2S — CID 8748440

IUPAC3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1
InChIInChI=1S/C16H15N3O2S/c1-9-4-6-12(7-5-9)13-8-22-16(17-13)18-15(20)14-10(2)19-21-11(14)3/h4-8H,1-3H3,(H,17,18,20)
InChIKeyYVARVVOQSDVJTG-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.98
Rot. Bonds3

About 3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 8748440) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
PubChem CID8748440
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1
InChIInChI=1S/C16H15N3O2S/c1-9-4-6-12(7-5-9)13-8-22-16(17-13)18-15(20)14-10(2)19-21-11(14)3/h4-8H,1-3H3,(H,17,18,20)
InChIKeyYVARVVOQSDVJTG-UHFFFAOYSA-N
XLogP3.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide (CID 8748440) is 3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide is Cc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is YVARVVOQSDVJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-9-4-6-12(7-5-9)13-8-22-16(17-13)18-15(20)14-10(2)19-21-11(14)3/h4-8H,1-3H3,(H,17,18,20).
What are the key properties of 3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.98, 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-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 8748440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).