methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate

C27H24N2O5 — CID 46277609

IUPACmethyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(-c2nc(COc3ccc(C)cc3)c(C)o2)cc1
InChIInChI=1S/C27H24N2O5/c1-17-8-14-21(15-9-17)33-16-24-18(2)34-26(29-24)20-12-10-19(11-13-20)25(30)28-23-7-5-4-6-22(23)27(31)32-3/h4-15H,16H2,1-3H3,(H,28,30)
InChIKeyCCKFAWBXAWIHPW-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.58
Rot. Bonds7

About methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate

methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate (PubChem CID 46277609) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate
PubChem CID46277609
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Namemethyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(-c2nc(COc3ccc(C)cc3)c(C)o2)cc1
InChIInChI=1S/C27H24N2O5/c1-17-8-14-21(15-9-17)33-16-24-18(2)34-26(29-24)20-12-10-19(11-13-20)25(30)28-23-7-5-4-6-22(23)27(31)32-3/h4-15H,16H2,1-3H3,(H,28,30)
InChIKeyCCKFAWBXAWIHPW-UHFFFAOYSA-N
XLogP5.58
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate with MolForge

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 46277613
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 45106624
4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916648
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916591
N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916684
N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916680
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide
CID 20916598
methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 23076400
(2-hydroxy-4-methoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanone
CID 68911275
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 16588954

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate (CID 46277609) is methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(-c2nc(COc3ccc(C)cc3)c(C)o2)cc1.
What is the InChIKey of methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate?
The InChIKey is CCKFAWBXAWIHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-17-8-14-21(15-9-17)33-16-24-18(2)34-26(29-24)20-12-10-19(11-13-20)25(30)28-23-7-5-4-6-22(23)27(31)32-3/h4-15H,16H2,1-3H3,(H,28,30).
What are the key properties of methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate?
methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate has a molecular weight of 456.50 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate is sourced from PubChem (CID 46277609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).