1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

C26H32N4O4 — CID 142368884

IUPAC1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C(C(=O)N2CCCC2C(=O)NC(C)c2ccc(-c3cnco3)cc2)C(C)(C)C)on1
InChIInChI=1S/C26H32N4O4/c1-16-13-21(34-29-16)23(26(3,4)5)25(32)30-12-6-7-20(30)24(31)28-17(2)18-8-10-19(11-9-18)22-14-27-15-33-22/h8-11,13-15,17,20,23H,6-7,12H2,1-5H3,(H,28,31)
InChIKeyKCVPCALMDLTUAJ-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.64
Rot. Bonds6

About 1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 142368884) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID142368884
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C(C(=O)N2CCCC2C(=O)NC(C)c2ccc(-c3cnco3)cc2)C(C)(C)C)on1
InChIInChI=1S/C26H32N4O4/c1-16-13-21(34-29-16)23(26(3,4)5)25(32)30-12-6-7-20(30)24(31)28-17(2)18-8-10-19(11-9-18)22-14-27-15-33-22/h8-11,13-15,17,20,23H,6-7,12H2,1-5H3,(H,28,31)
InChIKeyKCVPCALMDLTUAJ-UHFFFAOYSA-N
XLogP4.64
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(2,6-difluorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166535247
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166996489
1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[2-methyl-4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146357956
(2S)-1-[(2S)-2-(4-tert-butyltriazol-1-yl)-3-methylbutanoyl]-N-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 170955664
(2S,4R)-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 167606332
tert-butyl 4-[5-[3-methyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazol-3-yl]piperazine-1-carboxylate
CID 139577248
N-[1-[6-(2-methyl-1-sulfanylprop-1-enyl)-3-pyridinyl]ethyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 170181007
(2S,4R)-N-[(1S)-1-[4-(2,6-difluorophenyl)phenyl]ethyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
CID 167239061
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166996473
tert-butyl 2-[5-[1-[2-[1-[4-(2,6-difluorophenyl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 166536117
1-[3-methyl-2-[3-(2-oxoethoxy)-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 168901236

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 142368884) is 1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is Cc1cc(C(C(=O)N2CCCC2C(=O)NC(C)c2ccc(-c3cnco3)cc2)C(C)(C)C)on1.
What is the InChIKey of 1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is KCVPCALMDLTUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-16-13-21(34-29-16)23(26(3,4)5)25(32)30-12-6-7-20(30)24(31)28-17(2)18-8-10-19(11-9-18)22-14-27-15-33-22/h8-11,13-15,17,20,23H,6-7,12H2,1-5H3,(H,28,31).
What are the key properties of 1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[1-[4-(1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142368884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).