N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

C23H19ClN2O3 — CID 108792137

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc2onc(CC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c2cc1C
InChIInChI=1S/C23H19ClN2O3/c1-14-10-18-19(26-29-22(18)11-15(14)2)13-23(27)25-20-12-16(24)8-9-21(20)28-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyRLKFITKPIKUXQV-UHFFFAOYSA-N
MW406.87 g/mol
LogP6.07
Rot. Bonds5

About N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108792137) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108792137
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc2onc(CC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c2cc1C
InChIInChI=1S/C23H19ClN2O3/c1-14-10-18-19(26-29-22(18)11-15(14)2)13-23(27)25-20-12-16(24)8-9-21(20)28-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyRLKFITKPIKUXQV-UHFFFAOYSA-N
XLogP6.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
3-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-methylbenzoic acid
CID 108804310
2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide
CID 81260654
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 108792125
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 108792078
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 108804388
N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108804334
N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787270

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108792137) is N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is Cc1cc2onc(CC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c2cc1C.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is RLKFITKPIKUXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-14-10-18-19(26-29-22(18)11-15(14)2)13-23(27)25-20-12-16(24)8-9-21(20)28-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,25,27).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 406.87 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108792137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).