3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide

C17H14F3N3O4 — CID 151813057

IUPAC3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide
SMILESCOC1=CC(=O)CC(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1
InChIInChI=1S/C17H14F3N3O4/c1-26-13-7-10(6-12(24)8-13)15(25)21-11-4-2-9(3-5-11)14-22-16(27-23-14)17(18,19)20/h2-5,8,10H,6-7H2,1H3,(H,21,25)
InChIKeySBAGWRDXMJKDGR-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.20
Rot. Bonds4

About 3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide

3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 151813057) has the molecular formula C17H14F3N3O4 and a molecular weight of 381.31 g/mol. Its IUPAC name is 3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID151813057
Molecular FormulaC17H14F3N3O4
Molecular Weight381.31 g/mol
Exact Mass381.09
IUPAC Name3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide
SMILESCOC1=CC(=O)CC(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1
InChIInChI=1S/C17H14F3N3O4/c1-26-13-7-10(6-12(24)8-13)15(25)21-11-4-2-9(3-5-11)14-22-16(27-23-14)17(18,19)20/h2-5,8,10H,6-7H2,1H3,(H,21,25)
InChIKeySBAGWRDXMJKDGR-UHFFFAOYSA-N
XLogP3.20
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 134367045
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CID 119314177
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide
CID 151555059
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-3-carboxamide
CID 119314187
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide
CID 119767467
3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119767466
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-2-carboxamide
CID 119314167
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998
(2S)-2-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 119314171
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71936259

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of 3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide (CID 151813057) is 3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide is COC1=CC(=O)CC(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1.
What is the InChIKey of 3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is SBAGWRDXMJKDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O4/c1-26-13-7-10(6-12(24)8-13)15(25)21-11-4-2-9(3-5-11)14-22-16(27-23-14)17(18,19)20/h2-5,8,10H,6-7H2,1H3,(H,21,25).
What are the key properties of 3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide?
3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 381.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 151813057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).