2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen

C27H36N2O4 — CID 145389293

IUPAC2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen
SMILESCCC(C)CC(C)(C)NC(=O)Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[H][H]
InChIInChI=1S/C27H34N2O4.H2/c1-7-18(2)17-27(3,4)28-24(30)16-23-25(19-8-12-21(31-5)13-9-19)26(29-33-23)20-10-14-22(32-6)15-11-20;/h8-15,18H,7,16-17H2,1-6H3,(H,28,30);1H
InChIKeyHTXGEGLIPJOUIA-UHFFFAOYSA-N
MW452.60 g/mol
LogP6.15
Rot. Bonds10

About 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen

2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen (PubChem CID 145389293) has the molecular formula C27H36N2O4 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen
PubChem CID145389293
Molecular FormulaC27H36N2O4
Molecular Weight452.60 g/mol
Exact Mass452.27
IUPAC Name2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen
SMILESCCC(C)CC(C)(C)NC(=O)Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[H][H]
InChIInChI=1S/C27H34N2O4.H2/c1-7-18(2)17-27(3,4)28-24(30)16-23-25(19-8-12-21(31-5)13-9-19)26(29-33-23)20-10-14-22(32-6)15-11-20;/h8-15,18H,7,16-17H2,1-6H3,(H,28,30);1H
InChIKeyHTXGEGLIPJOUIA-UHFFFAOYSA-N
XLogP6.15
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen?
The IUPAC name of 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen (CID 145389293) is 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen.
What is the SMILES notation for 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen?
The canonical SMILES for 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen is CCC(C)CC(C)(C)NC(=O)Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[H][H].
What is the InChIKey of 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen?
The InChIKey is HTXGEGLIPJOUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4.H2/c1-7-18(2)17-27(3,4)28-24(30)16-23-25(19-8-12-21(31-5)13-9-19)26(29-33-23)20-10-14-22(32-6)15-11-20;/h8-15,18H,7,16-17H2,1-6H3,(H,28,30);1H.
What are the key properties of 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen?
2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen has a molecular weight of 452.60 g/mol, XLogP of 6.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen is sourced from PubChem (CID 145389293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).