3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide

C25H23ClN2O3 — CID 54858294

IUPAC3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cc3nc4cc(CC)ccc4o3)cc2)cc1Cl
InChIInChI=1S/C25H23ClN2O3/c1-3-16-7-11-23-21(13-16)28-24(31-23)14-17-5-9-19(10-6-17)27-25(29)18-8-12-22(30-4-2)20(26)15-18/h5-13,15H,3-4,14H2,1-2H3,(H,27,29)
InChIKeyTYUMMNXDJDGBNY-UHFFFAOYSA-N
MW434.92 g/mol
LogP6.29
Rot. Bonds7

About 3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide

3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide (PubChem CID 54858294) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
PubChem CID54858294
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Name3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cc3nc4cc(CC)ccc4o3)cc2)cc1Cl
InChIInChI=1S/C25H23ClN2O3/c1-3-16-7-11-23-21(13-16)28-24(31-23)14-17-5-9-19(10-6-17)27-25(29)18-8-12-22(30-4-2)20(26)15-18/h5-13,15H,3-4,14H2,1-2H3,(H,27,29)
InChIKeyTYUMMNXDJDGBNY-UHFFFAOYSA-N
XLogP6.29
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide 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

4-tert-butyl-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857974
4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857949
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
CID 1365609
4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857952
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
N-[[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 54859298
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide
CID 54857948
3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5346346
N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 2275762
N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 54858611
N-[[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-3-methoxybenzamide
CID 54859397
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide (CID 54858294) is 3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(Cc3nc4cc(CC)ccc4o3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide?
The InChIKey is TYUMMNXDJDGBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-3-16-7-11-23-21(13-16)28-24(31-23)14-17-5-9-19(10-6-17)27-25(29)18-8-12-22(30-4-2)20(26)15-18/h5-13,15H,3-4,14H2,1-2H3,(H,27,29).
What are the key properties of 3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide?
3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide has a molecular weight of 434.92 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 54858294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).