5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine

C16H10ClF6N5O2 — CID 11178521

IUPAC5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine
SMILESC[C@H](Oc1ccc(-c2nc(-c3nc(Cl)cnc3N)no2)cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H10ClF6N5O2/c1-6(15(18,19)20)29-9-3-2-7(4-8(9)16(21,22)23)14-27-13(28-30-14)11-12(24)25-5-10(17)26-11/h2-6H,1H3,(H2,24,25)/t6-/m0/s1
InChIKeyDHYZZQCYSDBHMJ-LURJTMIESA-N
MW453.73 g/mol
LogP4.78
Rot. Bonds4

About 5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine

5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine (PubChem CID 11178521) has the molecular formula C16H10ClF6N5O2 and a molecular weight of 453.73 g/mol. Its IUPAC name is 5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine
PubChem CID11178521
Molecular FormulaC16H10ClF6N5O2
Molecular Weight453.73 g/mol
Exact Mass453.04
IUPAC Name5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine
SMILESC[C@H](Oc1ccc(-c2nc(-c3nc(Cl)cnc3N)no2)cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H10ClF6N5O2/c1-6(15(18,19)20)29-9-3-2-7(4-8(9)16(21,22)23)14-27-13(28-30-14)11-12(24)25-5-10(17)26-11/h2-6H,1H3,(H2,24,25)/t6-/m0/s1
InChIKeyDHYZZQCYSDBHMJ-LURJTMIESA-N
XLogP4.78
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.73
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine
CID 11485347
6-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-amine
CID 59214236
3-(3-methylimidazo[1,2-a]pyridin-7-yl)-5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazole
CID 59214353
2-methanimidoyl-5-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 143554751
3-(2-ethoxy-3H-benzimidazol-5-yl)-5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazole
CID 59214359
3-(4-methyl-1H-benzimidazol-5-yl)-5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 162330110
4-[5-[4-[(2S)-butan-2-yl]oxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 18446970
methyl 4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indole-1-carboxylate
CID 59214238
5-[3,5-bis[3-[4-hexoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-3-[4-hexoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59260161
[3-chloro-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl 2-aminoacetate;hydrochloride
CID 175171985
2-[[4-[5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethanamine
CID 137371328
(2R)-2-[4-[3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenoxy]propanal
CID 58404416

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine?
The IUPAC name of 5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine (CID 11178521) is 5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine.
What is the SMILES notation for 5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine?
The canonical SMILES for 5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine is C[C@H](Oc1ccc(-c2nc(-c3nc(Cl)cnc3N)no2)cc1C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine?
The InChIKey is DHYZZQCYSDBHMJ-LURJTMIESA-N. The full InChI is InChI=1S/C16H10ClF6N5O2/c1-6(15(18,19)20)29-9-3-2-7(4-8(9)16(21,22)23)14-27-13(28-30-14)11-12(24)25-5-10(17)26-11/h2-6H,1H3,(H2,24,25)/t6-/m0/s1.
What are the key properties of 5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine?
5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine has a molecular weight of 453.73 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine is sourced from PubChem (CID 11178521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).