N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C15H22F3N3O2 — CID 138034290

IUPACN-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCCCCN1CCCCC1CNC(=O)c1ncoc1C(F)(F)F
InChIInChI=1S/C15H22F3N3O2/c1-2-3-7-21-8-5-4-6-11(21)9-19-14(22)12-13(15(16,17)18)23-10-20-12/h10-11H,2-9H2,1H3,(H,19,22)
InChIKeyZJNUMYBBXIUAOF-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.08
Rot. Bonds6

About N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 138034290) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID138034290
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC NameN-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCCCCN1CCCCC1CNC(=O)c1ncoc1C(F)(F)F
InChIInChI=1S/C15H22F3N3O2/c1-2-3-7-21-8-5-4-6-11(21)9-19-14(22)12-13(15(16,17)18)23-10-20-12/h10-11H,2-9H2,1H3,(H,19,22)
InChIKeyZJNUMYBBXIUAOF-UHFFFAOYSA-N
XLogP3.08
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S,5R)-3-(4,4-difluoropiperidin-1-yl)-4,5-dihydroxyazepan-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 118740324
N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195128
"2,5-dimethyl-N-(2-morpholinoethyl)-1,3-oxazole-4-carboxamide"
CID 53195158
2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 53195162
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195189
N-{2-[cyclohexyl(methyl)amino]ethyl}-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195185
1-[(5-Methyl-1,3-oxazol-4-yl)carbonyl]-4-(1-pyrrolidinylcarbonyl)piperidine
CID 70758906
N-Cyclohexyl-N-[2-(dimethylamino)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 74234028
Methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 75441942
5-methyl-N-({1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methyl)-1,3-oxazole-4-carboxamide
CID 118772730
5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122556326
5-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-oxazole-4-carboxamide
CID 132344982

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 138034290) is N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CCCCN1CCCCC1CNC(=O)c1ncoc1C(F)(F)F.
What is the InChIKey of N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZJNUMYBBXIUAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-2-3-7-21-8-5-4-6-11(21)9-19-14(22)12-13(15(16,17)18)23-10-20-12/h10-11H,2-9H2,1H3,(H,19,22).
What are the key properties of N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138034290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).