3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide

C24H21ClN2O4 — CID 135698032

IUPAC3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)c(O)c2)cc1Cl
InChIInChI=1S/C24H21ClN2O4/c1-4-30-21-8-5-15(11-18(21)25)23(29)26-16-6-7-17(20(28)12-16)24-27-19-9-13(2)14(3)10-22(19)31-24/h5-12,28H,4H2,1-3H3,(H,26,29)
InChIKeyDJIISGJGHKLHIR-UHFFFAOYSA-N
MW436.90 g/mol
LogP6.12
Rot. Bonds5

About 3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide

3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide (PubChem CID 135698032) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is 3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide
PubChem CID135698032
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Name3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)c(O)c2)cc1Cl
InChIInChI=1S/C24H21ClN2O4/c1-4-30-21-8-5-15(11-18(21)25)23(29)26-16-6-7-17(20(28)12-16)24-27-19-9-13(2)14(3)10-22(19)31-24/h5-12,28H,4H2,1-3H3,(H,26,29)
InChIKeyDJIISGJGHKLHIR-UHFFFAOYSA-N
XLogP6.12
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.90
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide 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

N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 2276581
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
CID 135812260
3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5346346
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-iodobenzamide
CID 135700294
3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 2911706
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-bromo-4-ethoxybenzamide
CID 135645663
3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 135655445
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1-benzofuran-2-carboxamide
CID 135579943
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
CID 2281879
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,5-dimethoxybenzamide
CID 3127993
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide?
The IUPAC name of 3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide (CID 135698032) is 3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide?
The canonical SMILES for 3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)c(O)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide?
The InChIKey is DJIISGJGHKLHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c1-4-30-21-8-5-15(11-18(21)25)23(29)26-16-6-7-17(20(28)12-16)24-27-19-9-13(2)14(3)10-22(19)31-24/h5-12,28H,4H2,1-3H3,(H,26,29).
What are the key properties of 3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide?
3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide has a molecular weight of 436.90 g/mol, XLogP of 6.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide is sourced from PubChem (CID 135698032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).