N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide

C31H26N2O4 — CID 100508470

IUPACN-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC(c3ccccc3)c3ccccc3)o2)c(OC)c1
InChIInChI=1S/C31H26N2O4/c1-35-23-17-18-26(27(19-23)36-2)28-20-32-31(37-28)25-16-10-9-15-24(25)30(34)33-29(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-20,29H,1-2H3,(H,33,34)
InChIKeyBIXCJAQTEACTDX-UHFFFAOYSA-N
MW490.56 g/mol
LogP6.55
Rot. Bonds8

About N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide

N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100508470) has the molecular formula C31H26N2O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100508470
Molecular FormulaC31H26N2O4
Molecular Weight490.56 g/mol
Exact Mass490.19
IUPAC NameN-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC(c3ccccc3)c3ccccc3)o2)c(OC)c1
InChIInChI=1S/C31H26N2O4/c1-35-23-17-18-26(27(19-23)36-2)28-20-32-31(37-28)25-16-10-9-15-24(25)30(34)33-29(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-20,29H,1-2H3,(H,33,34)
InChIKeyBIXCJAQTEACTDX-UHFFFAOYSA-N
XLogP6.55
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100506960
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150106
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
CID 100507572
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 100508304
N-(3,4-dimethoxyphenyl)-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100507661
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide
CID 133150074
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508362
[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 100508247
N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 133150062
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100503337
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide
CID 100501417

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100508470) is N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide is COc1ccc(-c2cnc(-c3ccccc3C(=O)NC(c3ccccc3)c3ccccc3)o2)c(OC)c1.
What is the InChIKey of N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is BIXCJAQTEACTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O4/c1-35-23-17-18-26(27(19-23)36-2)28-20-32-31(37-28)25-16-10-9-15-24(25)30(34)33-29(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-20,29H,1-2H3,(H,33,34).
What are the key properties of N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 490.56 g/mol, XLogP of 6.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100508470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).