N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide

C17H15ClN2O3 — CID 110773873

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cc1ccc2oc(C)nc2c1
InChIInChI=1S/C17H15ClN2O3/c1-10-19-13-7-11(3-5-16(13)23-10)8-17(21)20-14-9-12(18)4-6-15(14)22-2/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKeyPLKVLCVBRYILTE-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.98
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110773873) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
PubChem CID110773873
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cc1ccc2oc(C)nc2c1
InChIInChI=1S/C17H15ClN2O3/c1-10-19-13-7-11(3-5-16(13)23-10)8-17(21)20-14-9-12(18)4-6-15(14)22-2/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKeyPLKVLCVBRYILTE-UHFFFAOYSA-N
XLogP3.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390666
N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390669
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110773923
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774032
N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390658
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773893
2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110773772
N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide (CID 110773873) is N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cc1ccc2oc(C)nc2c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is PLKVLCVBRYILTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-10-19-13-7-11(3-5-16(13)23-10)8-17(21)20-14-9-12(18)4-6-15(14)22-2/h3-7,9H,8H2,1-2H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 330.77 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110773873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).