5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide

C26H25N3O5S — CID 42451700

IUPAC5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4ccccc4SC)c(C)o3)cc2)o1
InChIInChI=1S/C26H25N3O5S/c1-16-21(14-27-24(30)20-6-4-5-7-23(20)35-3)29-26(33-16)17-8-10-18(11-9-17)28-25(31)22-13-12-19(34-22)15-32-2/h4-13H,14-15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyYPLRZMNYBLITNX-UHFFFAOYSA-N
MW491.57 g/mol
LogP5.29
Rot. Bonds9

About 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide

5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide (PubChem CID 42451700) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
PubChem CID42451700
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4ccccc4SC)c(C)o3)cc2)o1
InChIInChI=1S/C26H25N3O5S/c1-16-21(14-27-24(30)20-6-4-5-7-23(20)35-3)29-26(33-16)17-8-10-18(11-9-17)28-25(31)22-13-12-19(34-22)15-32-2/h4-13H,14-15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyYPLRZMNYBLITNX-UHFFFAOYSA-N
XLogP5.29
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.57
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide
CID 42472213
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 42430218
N-[4-[4-[[(4-ethenylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 118754618
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 26347714
5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 26282410
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 26275930
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42421181
5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
CID 42167713
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
methyl N-[4-[[[5-(methoxymethyl)furan-2-carbonyl]amino]methyl]phenyl]carbamate
CID 78902905
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide (CID 42451700) is 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide is COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4ccccc4SC)c(C)o3)cc2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is YPLRZMNYBLITNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c1-16-21(14-27-24(30)20-6-4-5-7-23(20)35-3)29-26(33-16)17-8-10-18(11-9-17)28-25(31)22-13-12-19(34-22)15-32-2/h4-13H,14-15H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 5.29, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42451700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).