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

C16H14F4N4O3 — CID 110319170

IUPACN-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1nnc(-c2ccc(F)cc2)o1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C16H14F4N4O3/c17-10-5-3-9(4-6-10)14-23-22-12(27-14)8-21-13(25)11-2-1-7-24(11)15(26)16(18,19)20/h3-6,11H,1-2,7-8H2,(H,21,25)
InChIKeyFCORXMICCAWLHB-UHFFFAOYSA-N
MW386.31 g/mol
LogP2.05
Rot. Bonds4

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

N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110319170) has the molecular formula C16H14F4N4O3 and a molecular weight of 386.31 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110319170
Molecular FormulaC16H14F4N4O3
Molecular Weight386.31 g/mol
Exact Mass386.10
IUPAC NameN-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1nnc(-c2ccc(F)cc2)o1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C16H14F4N4O3/c17-10-5-3-9(4-6-10)14-23-22-12(27-14)8-21-13(25)11-2-1-7-24(11)15(26)16(18,19)20/h3-6,11H,1-2,7-8H2,(H,21,25)
InChIKeyFCORXMICCAWLHB-UHFFFAOYSA-N
XLogP2.05
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110319952
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-phenylthiophen-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110292509
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110393700
(2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 125447070
1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea
CID 110319164
tert-butyl 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110632203
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55021274
2-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethylpyrrolidine-1,2-dicarboxamide
CID 159386470
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110405201
2-ethyl-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]butanamide
CID 110319098
N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 86587583

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110319170) is N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C(NCc1nnc(-c2ccc(F)cc2)o1)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is FCORXMICCAWLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N4O3/c17-10-5-3-9(4-6-10)14-23-22-12(27-14)8-21-13(25)11-2-1-7-24(11)15(26)16(18,19)20/h3-6,11H,1-2,7-8H2,(H,21,25).
What are the key properties of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 386.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110319170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).