5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide

C36H47ClN6O7 — CID 143782946

IUPAC5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide
SMILESCC.CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OCc2cnc(CCCCCCC=O)[nH]2)cc1.CN1CC(C(N)=O)C1
InChIInChI=1S/C29H31ClN4O6.C5H10N2O.C2H6/c1-2-31-29(38)27-26(28(40-34-27)21-14-22(30)24(37)15-23(21)36)18-9-11-20(12-10-18)39-17-19-16-32-25(33-19)8-6-4-3-5-7-13-35;1-7-2-4(3-7)5(6)8;1-2/h9-16,36-37H,2-8,17H2,1H3,(H,31,38)(H,32,33);4H,2-3H2,1H3,(H2,6,8);1-2H3
InChIKeyAGHNKQAYCAUSND-UHFFFAOYSA-N
MW711.26 g/mol
LogP5.88
Rot. Bonds15

About 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide

5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide (PubChem CID 143782946) has the molecular formula C36H47ClN6O7 and a molecular weight of 711.26 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide
PubChem CID143782946
Molecular FormulaC36H47ClN6O7
Molecular Weight711.26 g/mol
Exact Mass710.32
IUPAC Name5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide
SMILESCC.CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OCc2cnc(CCCCCCC=O)[nH]2)cc1.CN1CC(C(N)=O)C1
InChIInChI=1S/C29H31ClN4O6.C5H10N2O.C2H6/c1-2-31-29(38)27-26(28(40-34-27)21-14-22(30)24(37)15-23(21)36)18-9-11-20(12-10-18)39-17-19-16-32-25(33-19)8-6-4-3-5-7-13-35;1-7-2-4(3-7)5(6)8;1-2/h9-16,36-37H,2-8,17H2,1H3,(H,31,38)(H,32,33);4H,2-3H2,1H3,(H2,6,8);1-2H3
InChIKeyAGHNKQAYCAUSND-UHFFFAOYSA-N
XLogP5.88
TPSA196.90 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.26
LogP ≤ 55.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide?
The IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide (CID 143782946) is 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide is CC.CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OCc2cnc(CCCCCCC=O)[nH]2)cc1.CN1CC(C(N)=O)C1.
What is the InChIKey of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide?
The InChIKey is AGHNKQAYCAUSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O6.C5H10N2O.C2H6/c1-2-31-29(38)27-26(28(40-34-27)21-14-22(30)24(37)15-23(21)36)18-9-11-20(12-10-18)39-17-19-16-32-25(33-19)8-6-4-3-5-7-13-35;1-7-2-4(3-7)5(6)8;1-2/h9-16,36-37H,2-8,17H2,1H3,(H,31,38)(H,32,33);4H,2-3H2,1H3,(H2,6,8);1-2H3.
What are the key properties of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide?
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide has a molecular weight of 711.26 g/mol, XLogP of 5.88, 15 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[[2-(7-oxoheptyl)-1H-imidazol-5-yl]methoxy]phenyl]-1,2-oxazole-3-carboxamide;ethane;1-methylazetidine-3-carboxamide is sourced from PubChem (CID 143782946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).