1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide

C20H25ClFN3O2 — CID 170152873

IUPAC1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide
SMILESCC(C)(C)c1coc(CN2CCC(C(=O)Nc3cc(F)cc(Cl)c3)CC2)n1
InChIInChI=1S/C20H25ClFN3O2/c1-20(2,3)17-12-27-18(24-17)11-25-6-4-13(5-7-25)19(26)23-16-9-14(21)8-15(22)10-16/h8-10,12-13H,4-7,11H2,1-3H3,(H,23,26)
InChIKeyOCAKPGOIDFQSGE-UHFFFAOYSA-N
MW393.89 g/mol
LogP4.62
Rot. Bonds4

About 1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide

1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide (PubChem CID 170152873) has the molecular formula C20H25ClFN3O2 and a molecular weight of 393.89 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide
PubChem CID170152873
Molecular FormulaC20H25ClFN3O2
Molecular Weight393.89 g/mol
Exact Mass393.16
IUPAC Name1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide
SMILESCC(C)(C)c1coc(CN2CCC(C(=O)Nc3cc(F)cc(Cl)c3)CC2)n1
InChIInChI=1S/C20H25ClFN3O2/c1-20(2,3)17-12-27-18(24-17)11-25-6-4-13(5-7-25)19(26)23-16-9-14(21)8-15(22)10-16/h8-10,12-13H,4-7,11H2,1-3H3,(H,23,26)
InChIKeyOCAKPGOIDFQSGE-UHFFFAOYSA-N
XLogP4.62
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide (CID 170152873) is 1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide is CC(C)(C)c1coc(CN2CCC(C(=O)Nc3cc(F)cc(Cl)c3)CC2)n1.
What is the InChIKey of 1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is OCAKPGOIDFQSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3O2/c1-20(2,3)17-12-27-18(24-17)11-25-6-4-13(5-7-25)19(26)23-16-9-14(21)8-15(22)10-16/h8-10,12-13H,4-7,11H2,1-3H3,(H,23,26).
What are the key properties of 1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide?
1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 393.89 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(3-chloro-5-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 170152873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).