N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide

C16H13Cl2N3O2 — CID 25211219

IUPACN-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1
InChIInChI=1S/C16H13Cl2N3O2/c1-19-8-14(22)20-9-5-6-13-12(7-9)21-16(23-13)10-3-2-4-11(17)15(10)18/h2-7,19H,8H2,1H3,(H,20,22)
InChIKeyXYONKFMCRCAUMY-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.96
Rot. Bonds4

About N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide

N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide (PubChem CID 25211219) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide
PubChem CID25211219
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC NameN-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1
InChIInChI=1S/C16H13Cl2N3O2/c1-19-8-14(22)20-9-5-6-13-12(7-9)21-16(23-13)10-3-2-4-11(17)15(10)18/h2-7,19H,8H2,1H3,(H,20,22)
InChIKeyXYONKFMCRCAUMY-UHFFFAOYSA-N
XLogP3.96
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide
CID 19631777
5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 1361589
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
CID 1361662
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318807
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 3557316
2-(4-chlorophenyl)sulfanyl-N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide
CID 23990798
5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23966661
N-[[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 5120438
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
CID 1305958
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 21213263
2-(4-bromophenoxy)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 43902670
5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23820161

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide (CID 25211219) is N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide is CNCC(=O)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide?
The InChIKey is XYONKFMCRCAUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-19-8-14(22)20-9-5-6-13-12(7-9)21-16(23-13)10-3-2-4-11(17)15(10)18/h2-7,19H,8H2,1H3,(H,20,22).
What are the key properties of N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide?
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide has a molecular weight of 350.21 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 25211219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).