N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide

C27H26N2O6 — CID 58175963

IUPACN-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2oc(-c3cc(CO)c(NC(C)=O)c(OC)c3)nc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C27H26N2O6/c1-16(32)28-24-21(15-31)12-20(13-23(24)34-3)27-29-25(18-6-4-17(14-30)5-7-18)26(35-27)19-8-10-22(33-2)11-9-19/h4-13,30-31H,14-15H2,1-3H3,(H,28,32)
InChIKeyCNGWMIQCDOWKRY-UHFFFAOYSA-N
MW474.51 g/mol
LogP4.64
Rot. Bonds8

About N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide

N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide (PubChem CID 58175963) has the molecular formula C27H26N2O6 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide
PubChem CID58175963
Molecular FormulaC27H26N2O6
Molecular Weight474.51 g/mol
Exact Mass474.18
IUPAC NameN-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2oc(-c3cc(CO)c(NC(C)=O)c(OC)c3)nc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C27H26N2O6/c1-16(32)28-24-21(15-31)12-20(13-23(24)34-3)27-29-25(18-6-4-17(14-30)5-7-18)26(35-27)19-8-10-22(33-2)11-9-19/h4-13,30-31H,14-15H2,1-3H3,(H,28,32)
InChIKeyCNGWMIQCDOWKRY-UHFFFAOYSA-N
XLogP4.64
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide with MolForge

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Related Compounds

4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 141107611
(4-methoxyphenyl)methanol
CID 7738
[4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenyl]methanol
CID 162475875
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
CID 139183533
2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide
CID 171990986
2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42687579
4-[2,4-bis[4-(dimethylamino)phenyl]-1,3-oxazol-5-yl]-2,6-dimethoxyphenol
CID 22159164
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719068
N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide
CID 90081194
ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate
CID 10002638
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide?
The IUPAC name of N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide (CID 58175963) is N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide is COc1ccc(-c2oc(-c3cc(CO)c(NC(C)=O)c(OC)c3)nc2-c2ccc(CO)cc2)cc1.
What is the InChIKey of N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide?
The InChIKey is CNGWMIQCDOWKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O6/c1-16(32)28-24-21(15-31)12-20(13-23(24)34-3)27-29-25(18-6-4-17(14-30)5-7-18)26(35-27)19-8-10-22(33-2)11-9-19/h4-13,30-31H,14-15H2,1-3H3,(H,28,32).
What are the key properties of N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide?
N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide has a molecular weight of 474.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-4-[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-6-methoxyphenyl]acetamide is sourced from PubChem (CID 58175963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).