cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

C17H15F3N2O3 — CID 97014133

IUPACcis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
SMILESO=C(OCc1nnc(C2CC2)o1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)13-4-2-1-3-10(13)11-7-12(11)16(23)24-8-14-21-22-15(25-14)9-5-6-9/h1-4,9,11-12H,5-8H2/t11-,12-/m0/s1
InChIKeyQCMZTRCWHNZVCW-RYUDHWBXSA-N
MW352.31 g/mol
LogP3.81
Rot. Bonds5

About cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate (PubChem CID 97014133) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
PubChem CID97014133
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Namecis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
SMILESO=C(OCc1nnc(C2CC2)o1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)13-4-2-1-3-10(13)11-7-12(11)16(23)24-8-14-21-22-15(25-14)9-5-6-9/h1-4,9,11-12H,5-8H2/t11-,12-/m0/s1
InChIKeyQCMZTRCWHNZVCW-RYUDHWBXSA-N
XLogP3.81
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 95914856
(2-amino-2-oxoethyl) 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 71900564
trans-(5-bromo-3-pyridinyl)methyl (1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 97185617
(5-bromo-3-pyridinyl)methyl 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 75403174
cis-(5-bromo-3-pyridinyl)methyl (1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 97185619
trans-(4-aminoquinazolin-2-yl)methyl (1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 95781229
trans-2-(2-oxopyrrolidin-1-yl)ethyl (1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 95908350
N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78832857
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 96545552
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 82471262
benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate
CID 70913925

Frequently Asked Questions

What is the IUPAC name of cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate (CID 97014133) is cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate is O=C(OCc1nnc(C2CC2)o1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The InChIKey is QCMZTRCWHNZVCW-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-17(19,20)13-4-2-1-3-10(13)11-7-12(11)16(23)24-8-14-21-22-15(25-14)9-5-6-9/h1-4,9,11-12H,5-8H2/t11-,12-/m0/s1.
What are the key properties of cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate has a molecular weight of 352.31 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 97014133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).