N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

C20H21FN4O2S — CID 11545794

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCc1noc(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)cs3)CC2)c1C
InChIInChI=1S/C20H21FN4O2S/c1-12-13(2)24-27-18(12)23-20(26)25-9-7-15(8-10-25)19-22-17(11-28-19)14-3-5-16(21)6-4-14/h3-6,11,15H,7-10H2,1-2H3,(H,23,26)
InChIKeyWJKHNNFWNHPXGW-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.97
Rot. Bonds3

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 11545794) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID11545794
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCc1noc(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)cs3)CC2)c1C
InChIInChI=1S/C20H21FN4O2S/c1-12-13(2)24-27-18(12)23-20(26)25-9-7-15(8-10-25)19-22-17(11-28-19)14-3-5-16(21)6-4-14/h3-6,11,15H,7-10H2,1-2H3,(H,23,26)
InChIKeyWJKHNNFWNHPXGW-UHFFFAOYSA-N
XLogP4.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 11545794) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is Cc1noc(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)cs3)CC2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is WJKHNNFWNHPXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c1-12-13(2)24-27-18(12)23-20(26)25-9-7-15(8-10-25)19-22-17(11-28-19)14-3-5-16(21)6-4-14/h3-6,11,15H,7-10H2,1-2H3,(H,23,26).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 11545794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).