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

C14H18F3N3O3 — CID 110714822

IUPACN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1nc(C)c(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C14H18F3N3O3/c1-8-11(23-9(2)19-8)7-18-12(21)10-3-5-20(6-4-10)13(22)14(15,16)17/h10H,3-7H2,1-2H3,(H,18,21)
InChIKeyMINUWAYUKCIJLE-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.71
Rot. Bonds3

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

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110714822) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110714822
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1nc(C)c(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C14H18F3N3O3/c1-8-11(23-9(2)19-8)7-18-12(21)10-3-5-20(6-4-10)13(22)14(15,16)17/h10H,3-7H2,1-2H3,(H,18,21)
InChIKeyMINUWAYUKCIJLE-UHFFFAOYSA-N
XLogP1.71
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988839
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 75443117
(1-((Dimethyl-1,3-oxazol-2-yl)methyl)piperidin-4-yl)methanamine
CID 52203126
2,4-dimethyl-N-[(1-pent-2-yn-1-ylpiperidin-4-yl)methyl]-1,3-oxazole-5-carboxamide formate
CID 131904082
cis-(1R,2R)-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-propylcyclopropane-1-carboxamide
CID 138035624
1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide
CID 138035626
(2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
CID 164633157
5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 164638791
2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 164639100
N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 121293284
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 81621110
N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine
CID 84014574

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110714822) is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cc1nc(C)c(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)o1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is MINUWAYUKCIJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-8-11(23-9(2)19-8)7-18-12(21)10-3-5-20(6-4-10)13(22)14(15,16)17/h10H,3-7H2,1-2H3,(H,18,21).
What are the key properties of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110714822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).