2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one

C27H34N4O4 — CID 167654418

IUPAC2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one
SMILESCc1ncoc1-c1ccc(CCC(=O)C2CC(O)CN2C(=O)C(C)n2cc(C(C)(C)C)cn2)cc1
InChIInChI=1S/C27H34N4O4/c1-17-25(35-16-28-17)20-9-6-19(7-10-20)8-11-24(33)23-12-22(32)15-30(23)26(34)18(2)31-14-21(13-29-31)27(3,4)5/h6-7,9-10,13-14,16,18,22-23,32H,8,11-12,15H2,1-5H3
InChIKeyIRYQGIJNRRHSSZ-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.87
Rot. Bonds7

About 2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one

2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 167654418) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one
PubChem CID167654418
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one
SMILESCc1ncoc1-c1ccc(CCC(=O)C2CC(O)CN2C(=O)C(C)n2cc(C(C)(C)C)cn2)cc1
InChIInChI=1S/C27H34N4O4/c1-17-25(35-16-28-17)20-9-6-19(7-10-20)8-11-24(33)23-12-22(32)15-30(23)26(34)18(2)31-14-21(13-29-31)27(3,4)5/h6-7,9-10,13-14,16,18,22-23,32H,8,11-12,15H2,1-5H3
InChIKeyIRYQGIJNRRHSSZ-UHFFFAOYSA-N
XLogP3.87
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3-methylbutan-1-one;2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 159845505
(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122423079
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122423081
(2S)-2-amino-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 158052429
1-[2-[(tert-butylamino)carbamoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146520211
2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one
CID 157186647
1-[1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[4-hydroxy-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3-methylbutan-1-one;2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3-methylbutan-1-one;2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 157443370
(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 161149523
1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 159867859
2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one
CID 157064546
(2R)-1-[(2S,4R)-4-hydroxy-2-[3-(6-phenyl-3-pyridinyl)propanoyl]pyrrolidin-1-yl]-2-methylpentane-1,4-dione
CID 160717308
N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-4-carboxamide
CID 157441477

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one (CID 167654418) is 2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one is Cc1ncoc1-c1ccc(CCC(=O)C2CC(O)CN2C(=O)C(C)n2cc(C(C)(C)C)cn2)cc1.
What is the InChIKey of 2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is IRYQGIJNRRHSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-17-25(35-16-28-17)20-9-6-19(7-10-20)8-11-24(33)23-12-22(32)15-30(23)26(34)18(2)31-14-21(13-29-31)27(3,4)5/h6-7,9-10,13-14,16,18,22-23,32H,8,11-12,15H2,1-5H3.
What are the key properties of 2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one?
2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 478.59 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 167654418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).