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

C27H27N3O6 — CID 42421181

IUPAC5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2nc(-c3cccc(NC(=O)Cc4ccc(OC)cc4)c3)oc2C)o1
InChIInChI=1S/C27H27N3O6/c1-17-23(15-28-26(32)24-12-11-22(36-24)16-33-2)30-27(35-17)19-5-4-6-20(14-19)29-25(31)13-18-7-9-21(34-3)10-8-18/h4-12,14H,13,15-16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyHEOSZYQIGXUUFW-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.51
Rot. Bonds10

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

5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide (PubChem CID 42421181) has the molecular formula C27H27N3O6 and a molecular weight of 489.53 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
PubChem CID42421181
Molecular FormulaC27H27N3O6
Molecular Weight489.53 g/mol
Exact Mass489.19
IUPAC Name5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2nc(-c3cccc(NC(=O)Cc4ccc(OC)cc4)c3)oc2C)o1
InChIInChI=1S/C27H27N3O6/c1-17-23(15-28-26(32)24-12-11-22(36-24)16-33-2)30-27(35-17)19-5-4-6-20(14-19)29-25(31)13-18-7-9-21(34-3)10-8-18/h4-12,14H,13,15-16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyHEOSZYQIGXUUFW-UHFFFAOYSA-N
XLogP4.51
TPSA115.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidophenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356085
N-[[2-[3-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-4-(2-methylpropyl)benzamide
CID 42166903
N-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353120
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
methyl 4-[[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110356115
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-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 42451700
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide
CID 42472213
N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356158
N-(2,5-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356048
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
N-[4-[4-[[(4-ethenylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 118754618

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide (CID 42421181) is 5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide is COCc1ccc(C(=O)NCc2nc(-c3cccc(NC(=O)Cc4ccc(OC)cc4)c3)oc2C)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide?
The InChIKey is HEOSZYQIGXUUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O6/c1-17-23(15-28-26(32)24-12-11-22(36-24)16-33-2)30-27(35-17)19-5-4-6-20(14-19)29-25(31)13-18-7-9-21(34-3)10-8-18/h4-12,14H,13,15-16H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of 5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 42421181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).