N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide

C26H25ClN2O3 — CID 23855856

IUPACN-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)c1
InChIInChI=1S/C26H25ClN2O3/c1-4-12-31-20-7-5-6-18(13-20)25(30)28-22-15-19(8-10-21(22)27)26-29-23-14-17(16(2)3)9-11-24(23)32-26/h5-11,13-16H,4,12H2,1-3H3,(H,28,30)
InChIKeyALSAJTUJYKDECC-UHFFFAOYSA-N
MW448.95 g/mol
LogP7.31
Rot. Bonds7

About N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide

N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide (PubChem CID 23855856) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
PubChem CID23855856
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC NameN-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)c1
InChIInChI=1S/C26H25ClN2O3/c1-4-12-31-20-7-5-6-18(13-20)25(30)28-22-15-19(8-10-21(22)27)26-29-23-14-17(16(2)3)9-11-24(23)32-26/h5-11,13-16H,4,12H2,1-3H3,(H,28,30)
InChIKeyALSAJTUJYKDECC-UHFFFAOYSA-N
XLogP7.31
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide 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-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 17110524
N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propan-2-yloxybenzamide
CID 23792127
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-ethoxybenzamide
CID 3285885
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-phenylmethoxybenzamide
CID 4998926
4-chloro-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4285115
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-methylbenzamide
CID 3923303
3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 7325876
3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127526
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-propan-2-yloxybenzamide
CID 3125092
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
CID 21212623
3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2292092
N-[[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chlorophenyl]carbamothioyl]-4-propoxybenzamide
CID 6590163

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide?
The IUPAC name of N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide (CID 23855856) is N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide?
The canonical SMILES for N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)c1.
What is the InChIKey of N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide?
The InChIKey is ALSAJTUJYKDECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c1-4-12-31-20-7-5-6-18(13-20)25(30)28-22-15-19(8-10-21(22)27)26-29-23-14-17(16(2)3)9-11-24(23)32-26/h5-11,13-16H,4,12H2,1-3H3,(H,28,30).
What are the key properties of N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide?
N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide has a molecular weight of 448.95 g/mol, XLogP of 7.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide is sourced from PubChem (CID 23855856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).