5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide

C16H19N5O2S — CID 146144555

IUPAC5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide
SMILESCn1ccc(-c2nc(CNC(=O)c3ncc(C(C)(C)C)o3)cs2)n1
InChIInChI=1S/C16H19N5O2S/c1-16(2,3)12-8-18-14(23-12)13(22)17-7-10-9-24-15(19-10)11-5-6-21(4)20-11/h5-6,8-9H,7H2,1-4H3,(H,17,22)
InChIKeyLRSWGHQSHZZPLF-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.76
Rot. Bonds4

About 5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide

5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide (PubChem CID 146144555) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide
PubChem CID146144555
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide
SMILESCn1ccc(-c2nc(CNC(=O)c3ncc(C(C)(C)C)o3)cs2)n1
InChIInChI=1S/C16H19N5O2S/c1-16(2,3)12-8-18-14(23-12)13(22)17-7-10-9-24-15(19-10)11-5-6-21(4)20-11/h5-6,8-9H,7H2,1-4H3,(H,17,22)
InChIKeyLRSWGHQSHZZPLF-UHFFFAOYSA-N
XLogP2.76
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide (CID 146144555) is 5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide is Cn1ccc(-c2nc(CNC(=O)c3ncc(C(C)(C)C)o3)cs2)n1.
What is the InChIKey of 5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide?
The InChIKey is LRSWGHQSHZZPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-16(2,3)12-8-18-14(23-12)13(22)17-7-10-9-24-15(19-10)11-5-6-21(4)20-11/h5-6,8-9H,7H2,1-4H3,(H,17,22).
What are the key properties of 5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide?
5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 146144555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).