methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate

C22H18N4O5 — CID 53107758

IUPACmethyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1nc(C)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C22H18N4O5/c1-13-23-20(18-19(26-31-21(18)24-13)14-8-4-3-5-9-14)30-12-17(27)25-16-11-7-6-10-15(16)22(28)29-2/h3-11H,12H2,1-2H3,(H,25,27)
InChIKeyFMHRVTPBTMJAJU-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.40
Rot. Bonds6

About methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate

methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate (PubChem CID 53107758) has the molecular formula C22H18N4O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate
PubChem CID53107758
Molecular FormulaC22H18N4O5
Molecular Weight418.41 g/mol
Exact Mass418.13
IUPAC Namemethyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1nc(C)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C22H18N4O5/c1-13-23-20(18-19(26-31-21(18)24-13)14-8-4-3-5-9-14)30-12-17(27)25-16-11-7-6-10-15(16)22(28)29-2/h3-11H,12H2,1-2H3,(H,25,27)
InChIKeyFMHRVTPBTMJAJU-UHFFFAOYSA-N
XLogP3.40
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107762
N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107751
N-(2-chloro-4-fluorophenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107781
N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107773
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide
CID 53107887
N-[(2-chloro-4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107791
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123175
methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate
CID 2393006
methyl 2-[[2-(1-phenylethylideneamino)oxyacetyl]amino]benzoate
CID 3533780
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate (CID 53107758) is methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1nc(C)nc2onc(-c3ccccc3)c12.
What is the InChIKey of methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate?
The InChIKey is FMHRVTPBTMJAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5/c1-13-23-20(18-19(26-31-21(18)24-13)14-8-4-3-5-9-14)30-12-17(27)25-16-11-7-6-10-15(16)22(28)29-2/h3-11H,12H2,1-2H3,(H,25,27).
What are the key properties of methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate?
methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate has a molecular weight of 418.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate is sourced from PubChem (CID 53107758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).