N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide

C22H20N2O4S — CID 46111557

IUPACN-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(-c2cc(CN(Cc3ccco3)C(=O)Cc3cccs3)no2)cc1
InChIInChI=1S/C22H20N2O4S/c1-26-18-8-6-16(7-9-18)21-12-17(23-28-21)14-24(15-19-4-2-10-27-19)22(25)13-20-5-3-11-29-20/h2-12H,13-15H2,1H3
InChIKeySLSMHUHODNKSLL-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.78
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide

N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 46111557) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID46111557
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(-c2cc(CN(Cc3ccco3)C(=O)Cc3cccs3)no2)cc1
InChIInChI=1S/C22H20N2O4S/c1-26-18-8-6-16(7-9-18)21-12-17(23-28-21)14-24(15-19-4-2-10-27-19)22(25)13-20-5-3-11-29-20/h2-12H,13-15H2,1H3
InChIKeySLSMHUHODNKSLL-UHFFFAOYSA-N
XLogP4.78
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111699
3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 42822310
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806406
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 46141678
N-(furan-2-ylmethyl)-5-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 31835199
N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
CID 42822314
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090197
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111732
(2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1449980

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide (CID 46111557) is N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide is COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)Cc3cccs3)no2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is SLSMHUHODNKSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-26-18-8-6-16(7-9-18)21-12-17(23-28-21)14-24(15-19-4-2-10-27-19)22(25)13-20-5-3-11-29-20/h2-12H,13-15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 408.48 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 46111557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).