N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

C18H24N4O3S — CID 71830071

IUPACN-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)c3cc(C)on3)C2)n1
InChIInChI=1S/C18H24N4O3S/c1-3-16(23)19-7-6-14-11-26-17(20-14)13-5-4-8-22(10-13)18(24)15-9-12(2)25-21-15/h9,11,13H,3-8,10H2,1-2H3,(H,19,23)
InChIKeyJESNWLCGCMNZBM-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.53
Rot. Bonds6

About N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 71830071) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID71830071
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)c3cc(C)on3)C2)n1
InChIInChI=1S/C18H24N4O3S/c1-3-16(23)19-7-6-14-11-26-17(20-14)13-5-4-8-22(10-13)18(24)15-9-12(2)25-21-15/h9,11,13H,3-8,10H2,1-2H3,(H,19,23)
InChIKeyJESNWLCGCMNZBM-UHFFFAOYSA-N
XLogP2.53
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 71830071) is N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is CCC(=O)NCCc1csc(C2CCCN(C(=O)c3cc(C)on3)C2)n1.
What is the InChIKey of N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is JESNWLCGCMNZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-3-16(23)19-7-6-14-11-26-17(20-14)13-5-4-8-22(10-13)18(24)15-9-12(2)25-21-15/h9,11,13H,3-8,10H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 376.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 71830071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).