N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

C14H20F3N3O3 — CID 75383174

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC(C(O)C(F)(F)F)CC2)oc1C
InChIInChI=1S/C14H20F3N3O3/c1-8-9(2)23-11(19-8)7-18-13(22)20-5-3-10(4-6-20)12(21)14(15,16)17/h10,12,21H,3-7H2,1-2H3,(H,18,22)
InChIKeyLLIMNIHLZVZQPE-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.14
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 75383174) has the molecular formula C14H20F3N3O3 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID75383174
Molecular FormulaC14H20F3N3O3
Molecular Weight335.33 g/mol
Exact Mass335.15
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC(C(O)C(F)(F)F)CC2)oc1C
InChIInChI=1S/C14H20F3N3O3/c1-8-9(2)23-11(19-8)7-18-13(22)20-5-3-10(4-6-20)12(21)14(15,16)17/h10,12,21H,3-7H2,1-2H3,(H,18,22)
InChIKeyLLIMNIHLZVZQPE-UHFFFAOYSA-N
XLogP2.14
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (CID 75383174) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is Cc1nc(CNC(=O)N2CCC(C(O)C(F)(F)F)CC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is LLIMNIHLZVZQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3/c1-8-9(2)23-11(19-8)7-18-13(22)20-5-3-10(4-6-20)12(21)14(15,16)17/h10,12,21H,3-7H2,1-2H3,(H,18,22).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75383174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).