5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide

C33H47N7O4 — CID 168903233

IUPAC5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide
SMILESCC(NC(=O)C(CCCNC=O)Cc1cc(N2CCC(CN3CCC(O)CC3)CC2)no1)c1ccc(-c2ccnn2C)cc1
InChIInChI=1S/C33H47N7O4/c1-24(26-5-7-27(8-6-26)31-9-15-35-38(31)2)36-33(43)28(4-3-14-34-23-41)20-30-21-32(37-44-30)40-18-10-25(11-19-40)22-39-16-12-29(42)13-17-39/h5-9,15,21,23-25,28-29,42H,3-4,10-14,16-20,22H2,1-2H3,(H,34,41)(H,36,43)
InChIKeyAJZFZDVAYCYBQL-UHFFFAOYSA-N
MW605.78 g/mol
LogP3.31
Rot. Bonds14

About 5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide

5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide (PubChem CID 168903233) has the molecular formula C33H47N7O4 and a molecular weight of 605.78 g/mol. Its IUPAC name is 5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide
PubChem CID168903233
Molecular FormulaC33H47N7O4
Molecular Weight605.78 g/mol
Exact Mass605.37
IUPAC Name5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide
SMILESCC(NC(=O)C(CCCNC=O)Cc1cc(N2CCC(CN3CCC(O)CC3)CC2)no1)c1ccc(-c2ccnn2C)cc1
InChIInChI=1S/C33H47N7O4/c1-24(26-5-7-27(8-6-26)31-9-15-35-38(31)2)36-33(43)28(4-3-14-34-23-41)20-30-21-32(37-44-30)40-18-10-25(11-19-40)22-39-16-12-29(42)13-17-39/h5-9,15,21,23-25,28-29,42H,3-4,10-14,16-20,22H2,1-2H3,(H,34,41)(H,36,43)
InChIKeyAJZFZDVAYCYBQL-UHFFFAOYSA-N
XLogP3.31
TPSA128.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.78
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide 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

(E,4E)-2-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-4-(2-cyclobutyloxy-1H-pyridin-4-ylidene)-3-fluorobut-2-enimidamide;2-(3-formamidopropyl)-3-[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-4-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide
CID 168903343
N-[1-(4-cyanophenyl)ethyl]-2-(3-formamidopropyl)-3-[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-4-methylpentanamide;2-[(1Z)-1,4,4-triamino-3-[6-(2-cyclobutyloxy-4-pyridinyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]buta-1,3-dienyl]phenol
CID 168903713
(2S,4R)-1-[(2R)-2-[3-[4-[[4-[3-[4-[(E)-3-[8-amino-3-(2-hydroxyphenyl)-1,2-dihydro-1,2,5-triazocin-7-yl]prop-2-enyl]piperidin-1-yl]cyclobutyl]oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 168901423
1-[2-[3-[4-[[4-[[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-pyridinyl]oxy]piperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 168903498
(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 169000409
2-[3-[4-[(4-cyclobutyloxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methyl-N-[5-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl]butanamide
CID 168903169
tert-butyl (2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 166035333
(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 158999580
methyl 2-[3-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 156720083
N-[1-(4-cyanophenyl)ethyl]-2-(3-formamidopropyl)-3-[3-(4-formylpiperidin-1-yl)-1,2-oxazol-5-yl]-4-methylpentanamide;1-methylpiperidin-4-ol;2-[(1Z)-1,4,4-triamino-3-[8-(2-cyclobutyloxy-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]buta-1,3-dienyl]phenol
CID 168904005
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
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56705166

Frequently Asked Questions

What is the IUPAC name of 5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide?
The IUPAC name of 5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide (CID 168903233) is 5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide.
What is the SMILES notation for 5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide?
The canonical SMILES for 5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide is CC(NC(=O)C(CCCNC=O)Cc1cc(N2CCC(CN3CCC(O)CC3)CC2)no1)c1ccc(-c2ccnn2C)cc1.
What is the InChIKey of 5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide?
The InChIKey is AJZFZDVAYCYBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N7O4/c1-24(26-5-7-27(8-6-26)31-9-15-35-38(31)2)36-33(43)28(4-3-14-34-23-41)20-30-21-32(37-44-30)40-18-10-25(11-19-40)22-39-16-12-29(42)13-17-39/h5-9,15,21,23-25,28-29,42H,3-4,10-14,16-20,22H2,1-2H3,(H,34,41)(H,36,43).
What are the key properties of 5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide?
5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide has a molecular weight of 605.78 g/mol, XLogP of 3.31, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formamido-2-[[3-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pentanamide is sourced from PubChem (CID 168903233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).