5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

C19H21F3N4O3 — CID 47075296

IUPAC5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)no1
InChIInChI=1S/C19H21F3N4O3/c1-12-10-16(25-29-12)18(28)24-15-6-8-26(9-7-15)11-17(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,10,15H,6-9,11H2,1H3,(H,23,27)(H,24,28)
InChIKeyRTKUKDQUWSFFSJ-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.83
Rot. Bonds5

About 5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 47075296) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID47075296
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)no1
InChIInChI=1S/C19H21F3N4O3/c1-12-10-16(25-29-12)18(28)24-15-6-8-26(9-7-15)11-17(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,10,15H,6-9,11H2,1H3,(H,23,27)(H,24,28)
InChIKeyRTKUKDQUWSFFSJ-UHFFFAOYSA-N
XLogP2.83
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]piperidin-1-yl]methyl]prop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 166356591
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26699893
5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 91817778
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 34795547
5-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47075099
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 37218704
ethyl 4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylate
CID 8932175
4-tert-butyl-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1445029
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 47075296) is 5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)no1.
What is the InChIKey of 5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is RTKUKDQUWSFFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-12-10-16(25-29-12)18(28)24-15-6-8-26(9-7-15)11-17(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,10,15H,6-9,11H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47075296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).