(1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide

C17H18F3N3O2 — CID 126430016

IUPAC(1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide
SMILESCC1(C)C[C@@]1(C(=O)NCCc1noc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C17H18F3N3O2/c1-15(2)10-16(15,11-6-4-3-5-7-11)13(24)21-9-8-12-22-14(25-23-12)17(18,19)20/h3-7H,8-10H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyZLTZWDHTYWJCBJ-INIZCTEOSA-N
MW353.34 g/mol
LogP3.12
Rot. Bonds5

About (1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide

(1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 126430016) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID126430016
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name(1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide
SMILESCC1(C)C[C@@]1(C(=O)NCCc1noc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C17H18F3N3O2/c1-15(2)10-16(15,11-6-4-3-5-7-11)13(24)21-9-8-12-22-14(25-23-12)17(18,19)20/h3-7H,8-10H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyZLTZWDHTYWJCBJ-INIZCTEOSA-N
XLogP3.12
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide
CID 126430017
1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide
CID 90648306
(3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide
CID 126439584
2-methylsulfanyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77080312
(1S)-1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 97156209
2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 119071610
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 91917592
5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide
CID 118769856
N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 67323149
2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 2832401
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
CID 118774316

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide (CID 126430016) is (1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide is CC1(C)C[C@@]1(C(=O)NCCc1noc(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of (1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is ZLTZWDHTYWJCBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-15(2)10-16(15,11-6-4-3-5-7-11)13(24)21-9-8-12-22-14(25-23-12)17(18,19)20/h3-7H,8-10H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide?
(1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126430016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).