2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide

C24H21ClN2O3 — CID 2286309

IUPAC2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCC(C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nc2c1
InChIInChI=1S/C24H21ClN2O3/c1-15(2)16-6-11-22-21(13-16)27-24(30-22)17-4-3-5-19(12-17)26-23(28)14-29-20-9-7-18(25)8-10-20/h3-13,15H,14H2,1-2H3,(H,26,28)
InChIKeyYYTKOUQBJQBXTN-UHFFFAOYSA-N
MW420.90 g/mol
LogP6.29
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide

2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 2286309) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID2286309
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCC(C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nc2c1
InChIInChI=1S/C24H21ClN2O3/c1-15(2)16-6-11-22-21(13-16)27-24(30-22)17-4-3-5-19(12-17)26-23(28)14-29-20-9-7-18(25)8-10-20/h3-13,15H,14H2,1-2H3,(H,26,28)
InChIKeyYYTKOUQBJQBXTN-UHFFFAOYSA-N
XLogP6.29
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 3498048
2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1324569
3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 23766038
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 27235913
2-(2-nitrophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 23827426
2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 7325875
2,4-dichloro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2269192
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
2-(4-butan-2-ylphenoxy)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 21167958
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 7325876
2,2,2-trifluoro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 9185231

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 2286309) is 2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide is CC(C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is YYTKOUQBJQBXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-15(2)16-6-11-22-21(13-16)27-24(30-22)17-4-3-5-19(12-17)26-23(28)14-29-20-9-7-18(25)8-10-20/h3-13,15H,14H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 420.90 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 2286309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).