N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide

C19H18N2O5S — CID 51070406

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCOCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc(-c2cccs2)on1
InChIInChI=1S/C19H18N2O5S/c1-23-11-19(22)21(9-13-4-5-15-16(7-13)25-12-24-15)10-14-8-17(26-20-14)18-3-2-6-27-18/h2-8H,9-12H2,1H3
InChIKeyPWFIPXYDXHTALT-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.31
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide (PubChem CID 51070406) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
PubChem CID51070406
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCOCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc(-c2cccs2)on1
InChIInChI=1S/C19H18N2O5S/c1-23-11-19(22)21(9-13-4-5-15-16(7-13)25-12-24-15)10-14-8-17(26-20-14)18-3-2-6-27-18/h2-8H,9-12H2,1H3
InChIKeyPWFIPXYDXHTALT-UHFFFAOYSA-N
XLogP3.31
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide
CID 60656747
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55484093
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-(3-methoxypropyl)butanamide
CID 3656553
N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 6487075
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloroacetyl)-(3-methoxypropyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4071531
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide
CID 42796369
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 16870189
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 4639395
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070546
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)nonanamide
CID 4299500
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)octanamide
CID 4125431
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
CID 3691170

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide (CID 51070406) is N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide is COCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc(-c2cccs2)on1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide?
The InChIKey is PWFIPXYDXHTALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-23-11-19(22)21(9-13-4-5-15-16(7-13)25-12-24-15)10-14-8-17(26-20-14)18-3-2-6-27-18/h2-8H,9-12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide has a molecular weight of 386.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide is sourced from PubChem (CID 51070406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).