5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide

C24H26ClN3O5 — CID 135749936

IUPAC5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C24H26ClN3O5/c1-2-26-24(32)22-21(23(33-27-22)17-11-18(25)20(31)12-19(17)30)15-5-3-14(4-6-15)13-28-9-7-16(29)8-10-28/h3-6,11-12,16,29-31H,2,7-10,13H2,1H3,(H,26,32)
InChIKeyUXGROXSBDPYMIT-UHFFFAOYSA-N
MW471.94 g/mol
LogP3.78
Rot. Bonds6

About 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide

5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 135749936) has the molecular formula C24H26ClN3O5 and a molecular weight of 471.94 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID135749936
Molecular FormulaC24H26ClN3O5
Molecular Weight471.94 g/mol
Exact Mass471.16
IUPAC Name5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C24H26ClN3O5/c1-2-26-24(32)22-21(23(33-27-22)17-11-18(25)20(31)12-19(17)30)15-5-3-14(4-6-15)13-28-9-7-16(29)8-10-28/h3-6,11-12,16,29-31H,2,7-10,13H2,1H3,(H,26,32)
InChIKeyUXGROXSBDPYMIT-UHFFFAOYSA-N
XLogP3.78
TPSA119.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide (CID 135749936) is 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UXGROXSBDPYMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O5/c1-2-26-24(32)22-21(23(33-27-22)17-11-18(25)20(31)12-19(17)30)15-5-3-14(4-6-15)13-28-9-7-16(29)8-10-28/h3-6,11-12,16,29-31H,2,7-10,13H2,1H3,(H,26,32).
What are the key properties of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 471.94 g/mol, XLogP of 3.78, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135749936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).