(2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide

C19H16F3N5O3 — CID 95873563

IUPAC(2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide
SMILESNC(=O)[C@H]1CN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)CCO1
InChIInChI=1S/C19H16F3N5O3/c20-19(21,22)13-3-1-2-11(8-13)17-25-18(30-26-17)12-4-5-15(24-9-12)27-6-7-29-14(10-27)16(23)28/h1-5,8-9,14H,6-7,10H2,(H2,23,28)/t14-/m1/s1
InChIKeyYLSOSBQVKOAZPF-CQSZACIVSA-N
MW419.36 g/mol
LogP2.51
Rot. Bonds4

About (2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide

(2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide (PubChem CID 95873563) has the molecular formula C19H16F3N5O3 and a molecular weight of 419.36 g/mol. Its IUPAC name is (2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide
PubChem CID95873563
Molecular FormulaC19H16F3N5O3
Molecular Weight419.36 g/mol
Exact Mass419.12
IUPAC Name(2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide
SMILESNC(=O)[C@H]1CN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)CCO1
InChIInChI=1S/C19H16F3N5O3/c20-19(21,22)13-3-1-2-11(8-13)17-25-18(30-26-17)12-4-5-15(24-9-12)27-6-7-29-14(10-27)16(23)28/h1-5,8-9,14H,6-7,10H2,(H2,23,28)/t14-/m1/s1
InChIKeyYLSOSBQVKOAZPF-CQSZACIVSA-N
XLogP2.51
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide with MolForge

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Related Compounds

1-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]azetidin-3-ol
CID 70740569
(2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide
CID 70707331
(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid
CID 97108044
5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 56888384
(2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
CID 45221148
[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 129215030
2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 71784129
4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine
CID 133483815
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53037210
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53037161

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide (CID 95873563) is (2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide is NC(=O)[C@H]1CN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)CCO1.
What is the InChIKey of (2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide?
The InChIKey is YLSOSBQVKOAZPF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16F3N5O3/c20-19(21,22)13-3-1-2-11(8-13)17-25-18(30-26-17)12-4-5-15(24-9-12)27-6-7-29-14(10-27)16(23)28/h1-5,8-9,14H,6-7,10H2,(H2,23,28)/t14-/m1/s1.
What are the key properties of (2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide?
(2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide has a molecular weight of 419.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide is sourced from PubChem (CID 95873563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).