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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Related Compounds

2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide
CID 66643784
2-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 75461115
4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 119431660
2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 110374853
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59568532
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492257
2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91085515
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
CID 66643513
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389441
methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate
CID 59568508
4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 66643567
N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676610

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).