methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate

C8H6F3N3O4 — CID 15709351

IUPACmethyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1CC(c2noc(C(F)(F)F)n2)=NO1
InChIInChI=1S/C8H6F3N3O4/c1-16-6(15)4-2-3(13-17-4)5-12-7(18-14-5)8(9,10)11/h4H,2H2,1H3
InChIKeyGAXTWRCQSCTUSO-UHFFFAOYSA-N
MW265.15 g/mol
LogP0.75
Rot. Bonds2

About methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate

methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 15709351) has the molecular formula C8H6F3N3O4 and a molecular weight of 265.15 g/mol. Its IUPAC name is methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID15709351
Molecular FormulaC8H6F3N3O4
Molecular Weight265.15 g/mol
Exact Mass265.03
IUPAC Namemethyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1CC(c2noc(C(F)(F)F)n2)=NO1
InChIInChI=1S/C8H6F3N3O4/c1-16-6(15)4-2-3(13-17-4)5-12-7(18-14-5)8(9,10)11/h4H,2H2,1H3
InChIKeyGAXTWRCQSCTUSO-UHFFFAOYSA-N
XLogP0.75
TPSA86.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate with MolForge

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Related Compounds

methyl N-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
CID 151854523
methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 89070674
methyl 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxylate
CID 14871952
2-methoxy-N-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 153313568
N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 139509769
(E)-3-[4-[2-[4-(5-methoxycarbonyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-2-oxoacetyl]phenyl]prop-2-enoic acid
CID 70250506
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide
CID 151813057
3-methoxy-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521115
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
N-(cyclopropylmethyl)-2-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768546
N-[(Z)-methoxyiminomethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 159324725

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 15709351) is methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate is COC(=O)C1CC(c2noc(C(F)(F)F)n2)=NO1.
What is the InChIKey of methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is GAXTWRCQSCTUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O4/c1-16-6(15)4-2-3(13-17-4)5-12-7(18-14-5)8(9,10)11/h4H,2H2,1H3.
What are the key properties of methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 265.15 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 15709351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).