4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide

C19H21F3N4O3 — CID 86869124

IUPAC4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)NCCc3ccc(C(F)(F)F)cc3)CC2)on1
InChIInChI=1S/C19H21F3N4O3/c1-13-12-16(29-24-13)17(27)25-8-10-26(11-9-25)18(28)23-7-6-14-2-4-15(5-3-14)19(20,21)22/h2-5,12H,6-11H2,1H3,(H,23,28)
InChIKeyNTFOKGUUFWDNIQ-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.71
Rot. Bonds4

About 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide

4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide (PubChem CID 86869124) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
PubChem CID86869124
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)NCCc3ccc(C(F)(F)F)cc3)CC2)on1
InChIInChI=1S/C19H21F3N4O3/c1-13-12-16(29-24-13)17(27)25-8-10-26(11-9-25)18(28)23-7-6-14-2-4-15(5-3-14)19(20,21)22/h2-5,12H,6-11H2,1H3,(H,23,28)
InChIKeyNTFOKGUUFWDNIQ-UHFFFAOYSA-N
XLogP2.71
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
CID 86874062
tert-butyl 4-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperazine-1-carboxylate
CID 30264016
4-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 27537143
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
CID 86869220
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
4-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 43665789
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
CID 86869234
4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 48955140
2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 95930427
(3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone
CID 133319033
(3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone
CID 56821475
N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 110617440

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide (CID 86869124) is 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)NCCc3ccc(C(F)(F)F)cc3)CC2)on1.
What is the InChIKey of 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide?
The InChIKey is NTFOKGUUFWDNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-13-12-16(29-24-13)17(27)25-8-10-26(11-9-25)18(28)23-7-6-14-2-4-15(5-3-14)19(20,21)22/h2-5,12H,6-11H2,1H3,(H,23,28).
What are the key properties of 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide?
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 86869124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).