2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide

C16H12Cl2N2O2 — CID 34303569

IUPAC2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2o1
InChIInChI=1S/C16H12Cl2N2O2/c1-9-19-14-8-11(3-5-15(14)22-9)20-16(21)7-10-2-4-12(17)13(18)6-10/h2-6,8H,7H2,1H3,(H,20,21)
InChIKeyRKRXTQCKGALASE-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.62
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide

2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 34303569) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
PubChem CID34303569
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2o1
InChIInChI=1S/C16H12Cl2N2O2/c1-9-19-14-8-11(3-5-15(14)22-9)20-16(21)7-10-2-4-12(17)13(18)6-10/h2-6,8H,7H2,1H3,(H,20,21)
InChIKeyRKRXTQCKGALASE-UHFFFAOYSA-N
XLogP4.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 52717820
N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773893
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390658
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34304284
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604979
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
CID 110390639
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide (CID 34303569) is 2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide is Cc1nc2cc(NC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2o1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is RKRXTQCKGALASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-9-19-14-8-11(3-5-15(14)22-9)20-16(21)7-10-2-4-12(17)13(18)6-10/h2-6,8H,7H2,1H3,(H,20,21).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 335.19 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 34303569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).