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

C14H19F3N4O3 — CID 110368495

IUPACN-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC(C)c1nnc(CCNC(=O)C2CCCN2C(=O)C(F)(F)F)o1
InChIInChI=1S/C14H19F3N4O3/c1-8(2)12-20-19-10(24-12)5-6-18-11(22)9-4-3-7-21(9)13(23)14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,22)
InChIKeyDKLFTPUYKRKRAS-UHFFFAOYSA-N
MW348.33 g/mol
LogP1.40
Rot. Bonds5

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

N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110368495) has the molecular formula C14H19F3N4O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110368495
Molecular FormulaC14H19F3N4O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC NameN-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC(C)c1nnc(CCNC(=O)C2CCCN2C(=O)C(F)(F)F)o1
InChIInChI=1S/C14H19F3N4O3/c1-8(2)12-20-19-10(24-12)5-6-18-11(22)9-4-3-7-21(9)13(23)14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,22)
InChIKeyDKLFTPUYKRKRAS-UHFFFAOYSA-N
XLogP1.40
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110323229
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110319170
N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110288042
N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 86587583
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110319952
N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110370397
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110287279
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
1-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 156794409
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110347483
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110393700
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 112502055

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110368495) is N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is CC(C)c1nnc(CCNC(=O)C2CCCN2C(=O)C(F)(F)F)o1.
What is the InChIKey of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is DKLFTPUYKRKRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O3/c1-8(2)12-20-19-10(24-12)5-6-18-11(22)9-4-3-7-21(9)13(23)14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110368495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).