2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

C17H25N3O3S — CID 90725818

IUPAC2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1noc(C)c1CCc1nc(C)c(C(=O)NCCO)s1
InChIInChI=1S/C17H25N3O3S/c1-4-5-6-14-13(12(3)23-20-14)7-8-15-19-11(2)16(24-15)17(22)18-9-10-21/h21H,4-10H2,1-3H3,(H,18,22)
InChIKeyYDSBQRNPTJLSIK-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.60
Rot. Bonds9

About 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 90725818) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID90725818
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1noc(C)c1CCc1nc(C)c(C(=O)NCCO)s1
InChIInChI=1S/C17H25N3O3S/c1-4-5-6-14-13(12(3)23-20-14)7-8-15-19-11(2)16(24-15)17(22)18-9-10-21/h21H,4-10H2,1-3H3,(H,18,22)
InChIKeyYDSBQRNPTJLSIK-UHFFFAOYSA-N
XLogP2.60
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 90725818) is 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is CCCCc1noc(C)c1CCc1nc(C)c(C(=O)NCCO)s1.
What is the InChIKey of 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YDSBQRNPTJLSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-4-5-6-14-13(12(3)23-20-14)7-8-15-19-11(2)16(24-15)17(22)18-9-10-21/h21H,4-10H2,1-3H3,(H,18,22).
What are the key properties of 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90725818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).