(111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate

C22H23NO5 — CID 77105395

IUPAC(111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate
SMILES[11CH3]OC(=O)C([11CH3])([12CH3])c1onc(-c2ccc(O[12CH3])cc2)c1-c1ccc(O[11CH3])cc1
InChIInChI=1S/C22H23NO5/c1-22(2,21(24)27-5)20-18(14-6-10-16(25-3)11-7-14)19(23-28-20)15-8-12-17(26-4)13-9-15/h6-13H,1-5H3/i1-1,2+0,3-1,4+0,5-1
InChIKeyPZFWJJUOTKUICX-PSSCPHOYSA-N
MW378.41 g/mol
LogP4.48
Rot. Bonds6

About (111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate

(111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate (PubChem CID 77105395) has the molecular formula C22H23NO5 and a molecular weight of 378.41 g/mol. Its IUPAC name is (111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate.

Molecular Properties

Compound Name(111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate
PubChem CID77105395
Molecular FormulaC22H23NO5
Molecular Weight378.41 g/mol
Exact Mass378.19
IUPAC Name(111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate
SMILES[11CH3]OC(=O)C([11CH3])([12CH3])c1onc(-c2ccc(O[12CH3])cc2)c1-c1ccc(O[11CH3])cc1
InChIInChI=1S/C22H23NO5/c1-22(2,21(24)27-5)20-18(14-6-10-16(25-3)11-7-14)19(23-28-20)15-8-12-17(26-4)13-9-15/h6-13H,1-5H3/i1-1,2+0,3-1,4+0,5-1
InChIKeyPZFWJJUOTKUICX-PSSCPHOYSA-N
XLogP4.48
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate with MolForge

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Related Compounds

1-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]butan-2-one
CID 90334997
methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate
CID 16640377
4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
CID 135855800
N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 155773356
2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen
CID 145389293
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
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 162801131
2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide
CID 13362983
4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 163101755
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227182

Frequently Asked Questions

What is the IUPAC name of (111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate?
The IUPAC name of (111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate (CID 77105395) is (111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate.
What is the SMILES notation for (111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate?
The canonical SMILES for (111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate is [11CH3]OC(=O)C([11CH3])([12CH3])c1onc(-c2ccc(O[12CH3])cc2)c1-c1ccc(O[11CH3])cc1.
What is the InChIKey of (111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate?
The InChIKey is PZFWJJUOTKUICX-PSSCPHOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-22(2,21(24)27-5)20-18(14-6-10-16(25-3)11-7-14)19(23-28-20)15-8-12-17(26-4)13-9-15/h6-13H,1-5H3/i1-1,2+0,3-1,4+0,5-1.
What are the key properties of (111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate?
(111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate has a molecular weight of 378.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate is sourced from PubChem (CID 77105395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).