N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide

C16H13F3N4O3 — CID 91632300

IUPACN-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide
SMILESCn1cccc1-c1noc(CNC(=O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C16H13F3N4O3/c1-23-7-3-6-12(23)14-21-13(26-22-14)9-20-15(24)10-4-2-5-11(8-10)25-16(17,18)19/h2-8H,9H2,1H3,(H,20,24)
InChIKeyBVRAYMDJULOYLR-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.90
Rot. Bonds5

About N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide

N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide (PubChem CID 91632300) has the molecular formula C16H13F3N4O3 and a molecular weight of 366.30 g/mol. Its IUPAC name is N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide
PubChem CID91632300
Molecular FormulaC16H13F3N4O3
Molecular Weight366.30 g/mol
Exact Mass366.09
IUPAC NameN-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide
SMILESCn1cccc1-c1noc(CNC(=O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C16H13F3N4O3/c1-23-7-3-6-12(23)14-21-13(26-22-14)9-20-15(24)10-4-2-5-11(8-10)25-16(17,18)19/h2-8H,9H2,1H3,(H,20,24)
InChIKeyBVRAYMDJULOYLR-UHFFFAOYSA-N
XLogP2.90
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 119105177
N-methyl-1-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 91811891
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 29152262
2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91632233
3-(1,3-benzodioxol-5-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 91632242
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122275401
N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 171682383
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide
CID 100623554
3-chloro-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 99994482
3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 134042967
3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 100750231

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide (CID 91632300) is N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide is Cn1cccc1-c1noc(CNC(=O)c2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is BVRAYMDJULOYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3/c1-23-7-3-6-12(23)14-21-13(26-22-14)9-20-15(24)10-4-2-5-11(8-10)25-16(17,18)19/h2-8H,9H2,1H3,(H,20,24).
What are the key properties of N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide?
N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 366.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 91632300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).