ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole

C24H36FN3O3 — CID 170578308

IUPACethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole
SMILESCC.CC(C)CC(=O)N1CCCC1C(=O)NC(C)c1ccc(F)cc1.Cc1ccon1
InChIInChI=1S/C18H25FN2O2.C4H5NO.C2H6/c1-12(2)11-17(22)21-10-4-5-16(21)18(23)20-13(3)14-6-8-15(19)9-7-14;1-4-2-3-6-5-4;1-2/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H,20,23);2-3H,1H3;1-2H3
InChIKeyGWHGYRNECHZFGO-UHFFFAOYSA-N
MW433.57 g/mol
LogP5.05
Rot. Bonds5

About ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole

ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole (PubChem CID 170578308) has the molecular formula C24H36FN3O3 and a molecular weight of 433.57 g/mol. Its IUPAC name is ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole.

Molecular Properties

Compound Nameethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole
PubChem CID170578308
Molecular FormulaC24H36FN3O3
Molecular Weight433.57 g/mol
Exact Mass433.27
IUPAC Nameethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole
SMILESCC.CC(C)CC(=O)N1CCCC1C(=O)NC(C)c1ccc(F)cc1.Cc1ccon1
InChIInChI=1S/C18H25FN2O2.C4H5NO.C2H6/c1-12(2)11-17(22)21-10-4-5-16(21)18(23)20-13(3)14-6-8-15(19)9-7-14;1-4-2-3-6-5-4;1-2/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H,20,23);2-3H,1H3;1-2H3
InChIKeyGWHGYRNECHZFGO-UHFFFAOYSA-N
XLogP5.05
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170385869
N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170385944
N-[1-[4-(3-chloro-1-methylpyrazol-5-yl)phenyl]ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177028979
N-[1-[4-(3-chloro-1-methylpyrazol-5-yl)-3-fluorophenyl]ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177029067
ethane;3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;3-methyl-1,2-oxazole;N-prop-2-ynylformamide
CID 170581612
N-[2,2-difluoro-1-[4-(1H-pyrazol-5-yl)phenyl]ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177028962
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidine-2-carboxamide
CID 15949234
N-[1-[4-(2,6-difluorophenyl)phenyl]ethyl]-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
CID 166536192
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 31143327
N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170578293
[2-[(2S)-2-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl] N-methyl-N-(2-methylcyclohexa-1,5-dien-1-yl)carbamimidothioate
CID 143338658
N-[1-(4-bromophenyl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 55606366

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole?
The IUPAC name of ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole (CID 170578308) is ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole.
What is the SMILES notation for ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole?
The canonical SMILES for ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole is CC.CC(C)CC(=O)N1CCCC1C(=O)NC(C)c1ccc(F)cc1.Cc1ccon1.
What is the InChIKey of ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole?
The InChIKey is GWHGYRNECHZFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2.C4H5NO.C2H6/c1-12(2)11-17(22)21-10-4-5-16(21)18(23)20-13(3)14-6-8-15(19)9-7-14;1-4-2-3-6-5-4;1-2/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H,20,23);2-3H,1H3;1-2H3.
What are the key properties of ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole?
ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole has a molecular weight of 433.57 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole is sourced from PubChem (CID 170578308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).