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

C23H26ClN3O4 — CID 135507260

IUPAC5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN(CC)CC)cc1
InChIInChI=1S/C23H26ClN3O4/c1-4-25-23(30)21-20(15-9-7-14(8-10-15)13-27(5-2)6-3)22(31-26-21)16-11-17(24)19(29)12-18(16)28/h7-12,28-29H,4-6,13H2,1-3H3,(H,25,30)
InChIKeyAEZSTVRHWTURDU-UHFFFAOYSA-N
MW443.93 g/mol
LogP4.66
Rot. Bonds8

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

5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 135507260) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide
PubChem CID135507260
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN(CC)CC)cc1
InChIInChI=1S/C23H26ClN3O4/c1-4-25-23(30)21-20(15-9-7-14(8-10-15)13-27(5-2)6-3)22(31-26-21)16-11-17(24)19(29)12-18(16)28/h7-12,28-29H,4-6,13H2,1-3H3,(H,25,30)
InChIKeyAEZSTVRHWTURDU-UHFFFAOYSA-N
XLogP4.66
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide (CID 135507260) is 5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN(CC)CC)cc1.
What is the InChIKey of 5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is AEZSTVRHWTURDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-4-25-23(30)21-20(15-9-7-14(8-10-15)13-27(5-2)6-3)22(31-26-21)16-11-17(24)19(29)12-18(16)28/h7-12,28-29H,4-6,13H2,1-3H3,(H,25,30).
What are the key properties of 5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide?
5-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 4.66, 8 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)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135507260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).