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

C17H21N3O3S — CID 71837864

IUPACN,N,5-trimethyl-2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)c3ccsc3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C17H21N3O3S/c1-11-14(17(22)19(2)3)18-15(23-11)12-4-7-20(8-5-12)16(21)13-6-9-24-10-13/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyOWZYLWXYZWWTJX-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.77
Rot. Bonds3

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

N,N,5-trimethyl-2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 71837864) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID71837864
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN,N,5-trimethyl-2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)c3ccsc3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C17H21N3O3S/c1-11-14(17(22)19(2)3)18-15(23-11)12-4-7-20(8-5-12)16(21)13-6-9-24-10-13/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyOWZYLWXYZWWTJX-UHFFFAOYSA-N
XLogP2.77
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.77
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-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N,5-trimethyl-2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide (CID 71837864) is N,N,5-trimethyl-2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N,5-trimethyl-2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide is Cc1oc(C2CCN(C(=O)c3ccsc3)CC2)nc1C(=O)N(C)C.
What is the InChIKey of N,N,5-trimethyl-2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is OWZYLWXYZWWTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-11-14(17(22)19(2)3)18-15(23-11)12-4-7-20(8-5-12)16(21)13-6-9-24-10-13/h6,9-10,12H,4-5,7-8H2,1-3H3.
What are the key properties of N,N,5-trimethyl-2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
N,N,5-trimethyl-2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.77, 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-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71837864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).