N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C17H17F3N4O4 — CID 110319952

IUPACN-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCOc1ccccc1-c1nnc(CNC(=O)C2CCCN2C(=O)C(F)(F)F)o1
InChIInChI=1S/C17H17F3N4O4/c1-27-12-7-3-2-5-10(12)15-23-22-13(28-15)9-21-14(25)11-6-4-8-24(11)16(26)17(18,19)20/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,21,25)
InChIKeyUHABYSDKUOLYTN-UHFFFAOYSA-N
MW398.34 g/mol
LogP1.91
Rot. Bonds5

About N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110319952) has the molecular formula C17H17F3N4O4 and a molecular weight of 398.34 g/mol. Its IUPAC name is N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110319952
Molecular FormulaC17H17F3N4O4
Molecular Weight398.34 g/mol
Exact Mass398.12
IUPAC NameN-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCOc1ccccc1-c1nnc(CNC(=O)C2CCCN2C(=O)C(F)(F)F)o1
InChIInChI=1S/C17H17F3N4O4/c1-27-12-7-3-2-5-10(12)15-23-22-13(28-15)9-21-14(25)11-6-4-8-24(11)16(26)17(18,19)20/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,21,25)
InChIKeyUHABYSDKUOLYTN-UHFFFAOYSA-N
XLogP1.91
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110319170
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110319883
N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 110321707
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110368495
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
CID 110319915
N-[(5-phenylthiophen-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110292509
N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110371599
trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine
CID 99716150
(2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391726
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110642182
1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 56555228
(2S)-2-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110319952) is N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is COc1ccccc1-c1nnc(CNC(=O)C2CCCN2C(=O)C(F)(F)F)o1.
What is the InChIKey of N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is UHABYSDKUOLYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O4/c1-27-12-7-3-2-5-10(12)15-23-22-13(28-15)9-21-14(25)11-6-4-8-24(11)16(26)17(18,19)20/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,21,25).
What are the key properties of N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 398.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110319952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).