(2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C27H26F3N5O4 — CID 90654199

IUPAC(2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESO=C(NC[C@@H]1CCCC[C@H]1O)[C@H](O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIInChI=1S/C27H26F3N5O4/c28-27(29,30)23-20(15-32-35(23)19-7-2-1-3-8-19)26-33-24(34-39-26)17-12-10-16(11-13-17)22(37)25(38)31-14-18-6-4-5-9-21(18)36/h1-3,7-8,10-13,15,18,21-22,36-37H,4-6,9,14H2,(H,31,38)/t18-,21+,22+/m0/s1
InChIKeyYUHTZSORWFXFTL-VLCRHTCISA-N
MW541.53 g/mol
LogP4.31
Rot. Bonds7

About (2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

(2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 90654199) has the molecular formula C27H26F3N5O4 and a molecular weight of 541.53 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID90654199
Molecular FormulaC27H26F3N5O4
Molecular Weight541.53 g/mol
Exact Mass541.19
IUPAC Name(2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESO=C(NC[C@@H]1CCCC[C@H]1O)[C@H](O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIInChI=1S/C27H26F3N5O4/c28-27(29,30)23-20(15-32-35(23)19-7-2-1-3-8-19)26-33-24(34-39-26)17-12-10-16(11-13-17)22(37)25(38)31-14-18-6-4-5-9-21(18)36/h1-3,7-8,10-13,15,18,21-22,36-37H,4-6,9,14H2,(H,31,38)/t18-,21+,22+/m0/s1
InChIKeyYUHTZSORWFXFTL-VLCRHTCISA-N
XLogP4.31
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.53
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of (2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 90654199) is (2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for (2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for (2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is O=C(NC[C@@H]1CCCC[C@H]1O)[C@H](O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1.
What is the InChIKey of (2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is YUHTZSORWFXFTL-VLCRHTCISA-N. The full InChI is InChI=1S/C27H26F3N5O4/c28-27(29,30)23-20(15-32-35(23)19-7-2-1-3-8-19)26-33-24(34-39-26)17-12-10-16(11-13-17)22(37)25(38)31-14-18-6-4-5-9-21(18)36/h1-3,7-8,10-13,15,18,21-22,36-37H,4-6,9,14H2,(H,31,38)/t18-,21+,22+/m0/s1.
What are the key properties of (2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
(2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 541.53 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 90654199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).