(2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C18H21ClF3N5O2 — CID 59108644

IUPAC(2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCC(C)(c1ncc(-c2cncc(Cl)c2)o1)N1CCN[C@H](C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C18H21ClF3N5O2/c1-17(2,16-25-8-14(29-16)11-5-12(19)7-23-6-11)27-4-3-24-13(9-27)15(28)26-10-18(20,21)22/h5-8,13,24H,3-4,9-10H2,1-2H3,(H,26,28)/t13-/m0/s1
InChIKeyUKIXOTHEYYYEFW-ZDUSSCGKSA-N
MW431.85 g/mol
LogP2.58
Rot. Bonds5

About (2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

(2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 59108644) has the molecular formula C18H21ClF3N5O2 and a molecular weight of 431.85 g/mol. Its IUPAC name is (2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID59108644
Molecular FormulaC18H21ClF3N5O2
Molecular Weight431.85 g/mol
Exact Mass431.13
IUPAC Name(2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCC(C)(c1ncc(-c2cncc(Cl)c2)o1)N1CCN[C@H](C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C18H21ClF3N5O2/c1-17(2,16-25-8-14(29-16)11-5-12(19)7-23-6-11)27-4-3-24-13(9-27)15(28)26-10-18(20,21)22/h5-8,13,24H,3-4,9-10H2,1-2H3,(H,26,28)/t13-/m0/s1
InChIKeyUKIXOTHEYYYEFW-ZDUSSCGKSA-N
XLogP2.58
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.85
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-[2-[5-(5-methoxypyridin-3-yl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 10238104
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide
CID 18180517
5-(6-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
CID 18180597
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(6-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide
CID 18180979
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide
CID 18181000
5-(5-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
CID 18181513
5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
CID 18181818
5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
CID 18181896
4-[2-[5-(5-methoxypyridin-3-yl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 20602972
4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 20602973
N-methyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-5-yl]methanamine
CID 53962185
N-[2-(6-chloropyridin-3-yl)-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide
CID 53982346

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 59108644) is (2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is CC(C)(c1ncc(-c2cncc(Cl)c2)o1)N1CCN[C@H](C(=O)NCC(F)(F)F)C1.
What is the InChIKey of (2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is UKIXOTHEYYYEFW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21ClF3N5O2/c1-17(2,16-25-8-14(29-16)11-5-12(19)7-23-6-11)27-4-3-24-13(9-27)15(28)26-10-18(20,21)22/h5-8,13,24H,3-4,9-10H2,1-2H3,(H,26,28)/t13-/m0/s1.
What are the key properties of (2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
(2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 431.85 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-[5-(5-chloro-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 59108644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).