N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide

C22H17ClN2O3 — CID 7326619

IUPACN-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3nc(-c4ccc(Cl)cc4)oc3c2)cc1
InChIInChI=1S/C22H17ClN2O3/c1-27-18-9-2-14(3-10-18)12-21(26)24-17-8-11-19-20(13-17)28-22(25-19)15-4-6-16(23)7-5-15/h2-11,13H,12H2,1H3,(H,24,26)
InChIKeyUKXICFWRNXBQIM-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.34
Rot. Bonds5

About N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide

N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 7326619) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID7326619
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC NameN-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3nc(-c4ccc(Cl)cc4)oc3c2)cc1
InChIInChI=1S/C22H17ClN2O3/c1-27-18-9-2-14(3-10-18)12-21(26)24-17-8-11-19-20(13-17)28-22(25-19)15-4-6-16(23)7-5-15/h2-11,13H,12H2,1H3,(H,24,26)
InChIKeyUKXICFWRNXBQIM-UHFFFAOYSA-N
XLogP5.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide
CID 17360136
2-(4-chlorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17163347
2-(4-chlorophenyl)sulfanyl-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide
CID 23935376
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 46231324
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848128
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 24599401
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 18225429

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide (CID 7326619) is N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc3nc(-c4ccc(Cl)cc4)oc3c2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is UKXICFWRNXBQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-27-18-9-2-14(3-10-18)12-21(26)24-17-8-11-19-20(13-17)28-22(25-19)15-4-6-16(23)7-5-15/h2-11,13H,12H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide?
N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 392.84 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 7326619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).