2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide

C18H19N3O2S — CID 74245846

IUPAC2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N(Cc2cccnc2)Cc2ccsc2)o1
InChIInChI=1S/C18H19N3O2S/c1-3-16-20-13(2)17(23-16)18(22)21(11-15-6-8-24-12-15)10-14-5-4-7-19-9-14/h4-9,12H,3,10-11H2,1-2H3
InChIKeyGMQFYCZOXMTHBJ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.84
Rot. Bonds6

About 2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide (PubChem CID 74245846) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide
PubChem CID74245846
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N(Cc2cccnc2)Cc2ccsc2)o1
InChIInChI=1S/C18H19N3O2S/c1-3-16-20-13(2)17(23-16)18(22)21(11-15-6-8-24-12-15)10-14-5-4-7-19-9-14/h4-9,12H,3,10-11H2,1-2H3
InChIKeyGMQFYCZOXMTHBJ-UHFFFAOYSA-N
XLogP3.84
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide (CID 74245846) is 2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)N(Cc2cccnc2)Cc2ccsc2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is GMQFYCZOXMTHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-16-20-13(2)17(23-16)18(22)21(11-15-6-8-24-12-15)10-14-5-4-7-19-9-14/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 74245846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).