2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C23H25FN4O3S — CID 11963047

IUPAC2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)N1CCC(c2onc(-c3ccc(F)cc3)c2-c2nc(C(=O)NC(C)C)cs2)CC1
InChIInChI=1S/C23H25FN4O3S/c1-13(2)25-22(30)18-12-32-23(26-18)19-20(15-4-6-17(24)7-5-15)27-31-21(19)16-8-10-28(11-9-16)14(3)29/h4-7,12-13,16H,8-11H2,1-3H3,(H,25,30)
InChIKeyNMBIWEAKLZNUGJ-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.47
Rot. Bonds5

About 2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 11963047) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID11963047
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC Name2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)N1CCC(c2onc(-c3ccc(F)cc3)c2-c2nc(C(=O)NC(C)C)cs2)CC1
InChIInChI=1S/C23H25FN4O3S/c1-13(2)25-22(30)18-12-32-23(26-18)19-20(15-4-6-17(24)7-5-15)27-31-21(19)16-8-10-28(11-9-16)14(3)29/h4-7,12-13,16H,8-11H2,1-3H3,(H,25,30)
InChIKeyNMBIWEAKLZNUGJ-UHFFFAOYSA-N
XLogP4.47
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 11963047) is 2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(=O)N1CCC(c2onc(-c3ccc(F)cc3)c2-c2nc(C(=O)NC(C)C)cs2)CC1.
What is the InChIKey of 2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NMBIWEAKLZNUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-13(2)25-22(30)18-12-32-23(26-18)19-20(15-4-6-17(24)7-5-15)27-31-21(19)16-8-10-28(11-9-16)14(3)29/h4-7,12-13,16H,8-11H2,1-3H3,(H,25,30).
What are the key properties of 2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11963047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).