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

C17H25N3O2S — CID 66643784

IUPAC2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1noc(C)c1CCc1ncc(C(=O)NCCC)s1
InChIInChI=1S/C17H25N3O2S/c1-4-6-7-14-13(12(3)22-20-14)8-9-16-19-11-15(23-16)17(21)18-10-5-2/h11H,4-10H2,1-3H3,(H,18,21)
InChIKeyKQFFBSGVKPEKEY-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.71
Rot. Bonds9

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

2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 66643784) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID66643784
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1noc(C)c1CCc1ncc(C(=O)NCCC)s1
InChIInChI=1S/C17H25N3O2S/c1-4-6-7-14-13(12(3)22-20-14)8-9-16-19-11-15(23-16)17(21)18-10-5-2/h11H,4-10H2,1-3H3,(H,18,21)
InChIKeyKQFFBSGVKPEKEY-UHFFFAOYSA-N
XLogP3.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide
CID 66643590
2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 90725818
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492257
2-[(E)-2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid
CID 66643789
N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119499749
2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-N-propyl-1,3-thiazole-5-carboxamide
CID 67521168
N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 120650729
N-[2-(4-chlorophenoxy)ethyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 57210461
2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 86847550
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
CID 66643513
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 59568543
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 66598335

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide (CID 66643784) is 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide is CCCCc1noc(C)c1CCc1ncc(C(=O)NCCC)s1.
What is the InChIKey of 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is KQFFBSGVKPEKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-4-6-7-14-13(12(3)22-20-14)8-9-16-19-11-15(23-16)17(21)18-10-5-2/h11H,4-10H2,1-3H3,(H,18,21).
What are the key properties of 2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide?
2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 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-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66643784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).