N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

C20H18N2O5 — CID 110356158

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCOc1cccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCO4)c(C)o2)c1
InChIInChI=1S/C20H18N2O5/c1-12-16(22-20(27-12)13-4-3-5-15(8-13)24-2)10-19(23)21-14-6-7-17-18(9-14)26-11-25-17/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyIRCHRPMLDHNJIA-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.57
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110356158) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID110356158
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCOc1cccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCO4)c(C)o2)c1
InChIInChI=1S/C20H18N2O5/c1-12-16(22-20(27-12)13-4-3-5-15(8-13)24-2)10-19(23)21-14-6-7-17-18(9-14)26-11-25-17/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyIRCHRPMLDHNJIA-UHFFFAOYSA-N
XLogP3.57
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353120
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110371720
N-(3-acetamidophenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356085
N-(1,3-benzodioxol-5-yl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110371664
methyl 4-[[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110356115
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16620648
N-(2,5-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356048
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110411850
N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356245
N-(2-methoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356012
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611849
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-pyrimidin-2-ylacetamide
CID 110676935

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110356158) is N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is COc1cccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCO4)c(C)o2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is IRCHRPMLDHNJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-16(22-20(27-12)13-4-3-5-15(8-13)24-2)10-19(23)21-14-6-7-17-18(9-14)26-11-25-17/h3-9H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 366.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110356158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).