5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C23H24ClN3O4 — CID 135749937

IUPAC5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C23H24ClN3O4/c1-2-25-23(30)21-20(15-7-5-14(6-8-15)13-27-9-3-4-10-27)22(31-26-21)16-11-17(24)19(29)12-18(16)28/h5-8,11-12,28-29H,2-4,9-10,13H2,1H3,(H,25,30)
InChIKeyUDDPLCHZKDHZOM-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.42
Rot. Bonds6

About 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 135749937) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID135749937
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C23H24ClN3O4/c1-2-25-23(30)21-20(15-7-5-14(6-8-15)13-27-9-3-4-10-27)22(31-26-21)16-11-17(24)19(29)12-18(16)28/h5-8,11-12,28-29H,2-4,9-10,13H2,1H3,(H,25,30)
InChIKeyUDDPLCHZKDHZOM-UHFFFAOYSA-N
XLogP4.42
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-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-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 135749937) is 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN2CCCC2)cc1.
What is the InChIKey of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UDDPLCHZKDHZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-2-25-23(30)21-20(15-7-5-14(6-8-15)13-27-9-3-4-10-27)22(31-26-21)16-11-17(24)19(29)12-18(16)28/h5-8,11-12,28-29H,2-4,9-10,13H2,1H3,(H,25,30).
What are the key properties of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135749937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).