5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide

C15H21N3O2S — CID 86798378

IUPAC5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)NCc1cnc(CC(C)C)s1
InChIInChI=1S/C15H21N3O2S/c1-5-12-14(10(4)18-20-12)15(19)17-8-11-7-16-13(21-11)6-9(2)3/h7,9H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyXBPYKINRNVOESJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.13
Rot. Bonds6

About 5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide

5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 86798378) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID86798378
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)NCc1cnc(CC(C)C)s1
InChIInChI=1S/C15H21N3O2S/c1-5-12-14(10(4)18-20-12)15(19)17-8-11-7-16-13(21-11)6-9(2)3/h7,9H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyXBPYKINRNVOESJ-UHFFFAOYSA-N
XLogP3.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide (CID 86798378) is 5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)NCc1cnc(CC(C)C)s1.
What is the InChIKey of 5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is XBPYKINRNVOESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-12-14(10(4)18-20-12)15(19)17-8-11-7-16-13(21-11)6-9(2)3/h7,9H,5-6,8H2,1-4H3,(H,17,19).
What are the key properties of 5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide?
5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 86798378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).