2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

C19H19ClN2O5 — CID 91683567

IUPAC2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1cc(-c2nc3cc(NC(=O)CCl)cc(C)c3o2)cc(OC)c1OC
InChIInChI=1S/C19H19ClN2O5/c1-10-5-12(21-16(23)9-20)8-13-17(10)27-19(22-13)11-6-14(24-2)18(26-4)15(7-11)25-3/h5-8H,9H2,1-4H3,(H,21,23)
InChIKeyXALOGMHKJWJULN-UHFFFAOYSA-N
MW390.82 g/mol
LogP4.01
Rot. Bonds6

About 2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 91683567) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is 2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID91683567
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1cc(-c2nc3cc(NC(=O)CCl)cc(C)c3o2)cc(OC)c1OC
InChIInChI=1S/C19H19ClN2O5/c1-10-5-12(21-16(23)9-20)8-13-17(10)27-19(22-13)11-6-14(24-2)18(26-4)15(7-11)25-3/h5-8H,9H2,1-4H3,(H,21,23)
InChIKeyXALOGMHKJWJULN-UHFFFAOYSA-N
XLogP4.01
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
CID 91683568
2-chloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 91683656
2-(4-chlorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17163347
2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676797
2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
CID 91676818
2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17163415
methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate
CID 44557879
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 24599401
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1361277
2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
CID 91683703
2-(4-bromophenoxy)-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17163406
2-(4-chlorophenoxy)-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17163407

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 91683567) is 2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is COc1cc(-c2nc3cc(NC(=O)CCl)cc(C)c3o2)cc(OC)c1OC.
What is the InChIKey of 2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is XALOGMHKJWJULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-10-5-12(21-16(23)9-20)8-13-17(10)27-19(22-13)11-6-14(24-2)18(26-4)15(7-11)25-3/h5-8H,9H2,1-4H3,(H,21,23).
What are the key properties of 2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 390.82 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 91683567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).