N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide

C18H23N3O3S — CID 71837862

IUPACN,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)s1
InChIInChI=1S/C18H23N3O3S/c1-11-5-6-14(25-11)17(22)21-9-7-13(8-10-21)16-19-15(12(2)24-16)18(23)20(3)4/h5-6,13H,7-10H2,1-4H3
InChIKeyJSTDEQGNUPVKQA-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.07
Rot. Bonds3

About N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide

N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 71837862) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID71837862
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)s1
InChIInChI=1S/C18H23N3O3S/c1-11-5-6-14(25-11)17(22)21-9-7-13(8-10-21)16-19-15(12(2)24-16)18(23)20(3)4/h5-6,13H,7-10H2,1-4H3
InChIKeyJSTDEQGNUPVKQA-UHFFFAOYSA-N
XLogP3.07
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide (CID 71837862) is N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide is Cc1ccc(C(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)s1.
What is the InChIKey of N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is JSTDEQGNUPVKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-11-5-6-14(25-11)17(22)21-9-7-13(8-10-21)16-19-15(12(2)24-16)18(23)20(3)4/h5-6,13H,7-10H2,1-4H3.
What are the key properties of N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71837862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).