2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide

C17H15ClN2O3 — CID 91683568

IUPAC2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1cccc(-c2nc3cc(NC(=O)CCl)cc(C)c3o2)c1
InChIInChI=1S/C17H15ClN2O3/c1-10-6-12(19-15(21)9-18)8-14-16(10)23-17(20-14)11-4-3-5-13(7-11)22-2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyICPVSKKYGYPTGL-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.99
Rot. Bonds4

About 2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide

2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide (PubChem CID 91683568) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
PubChem CID91683568
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1cccc(-c2nc3cc(NC(=O)CCl)cc(C)c3o2)c1
InChIInChI=1S/C17H15ClN2O3/c1-10-6-12(19-15(21)9-18)8-14-16(10)23-17(20-14)11-4-3-5-13(7-11)22-2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyICPVSKKYGYPTGL-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683567
2-chloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 91683656
2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
CID 91676818
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656
N-(3-acetamidophenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356085
N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide
CID 1344727
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092662
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide
CID 3285271
2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676665
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 5229076
N-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide (CID 91683568) is 2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide is COc1cccc(-c2nc3cc(NC(=O)CCl)cc(C)c3o2)c1.
What is the InChIKey of 2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is ICPVSKKYGYPTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-10-6-12(19-15(21)9-18)8-14-16(10)23-17(20-14)11-4-3-5-13(7-11)22-2/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide?
2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 330.77 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 91683568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).