2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide

C23H18ClFN2O3 — CID 4208368

IUPAC2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1
InChIInChI=1S/C23H18ClFN2O3/c1-23(2,30-16-10-7-14(24)8-11-16)22(28)26-15-9-12-20-19(13-15)27-21(29-20)17-5-3-4-6-18(17)25/h3-13H,1-2H3,(H,26,28)
InChIKeyXKVKWSXNFDTDOA-UHFFFAOYSA-N
MW424.86 g/mol
LogP6.08
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide (PubChem CID 4208368) has the molecular formula C23H18ClFN2O3 and a molecular weight of 424.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
PubChem CID4208368
Molecular FormulaC23H18ClFN2O3
Molecular Weight424.86 g/mol
Exact Mass424.10
IUPAC Name2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1
InChIInChI=1S/C23H18ClFN2O3/c1-23(2,30-16-10-7-14(24)8-11-16)22(28)26-15-9-12-20-19(13-15)27-21(29-20)17-5-3-4-6-18(17)25/h3-13H,1-2H3,(H,26,28)
InChIKeyXKVKWSXNFDTDOA-UHFFFAOYSA-N
XLogP6.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.86
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide 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-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308293
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17110968
2-(4-chlorophenoxy)-2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 1256741
2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 43902672
2-(4-bromophenoxy)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 43902670
2-(4-chlorophenoxy)-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17163407
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 23793460
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethoxybenzamide
CID 1015782
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide
CID 19630286
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308147
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide (CID 4208368) is 2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The InChIKey is XKVKWSXNFDTDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3/c1-23(2,30-16-10-7-14(24)8-11-16)22(28)26-15-9-12-20-19(13-15)27-21(29-20)17-5-3-4-6-18(17)25/h3-13H,1-2H3,(H,26,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide has a molecular weight of 424.86 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 4208368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).