methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate

C22H21FN2O5 — CID 30469213

IUPACmethyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1
InChIInChI=1S/C22H21FN2O5/c1-13-18(14(2)30-25-13)12-29-17-7-4-15(5-8-17)10-21(26)24-20-11-16(22(27)28-3)6-9-19(20)23/h4-9,11H,10,12H2,1-3H3,(H,24,26)
InChIKeyANRTWGLTWDDSCY-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.98
Rot. Bonds7

About methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate

methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate (PubChem CID 30469213) has the molecular formula C22H21FN2O5 and a molecular weight of 412.42 g/mol. Its IUPAC name is methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate
PubChem CID30469213
Molecular FormulaC22H21FN2O5
Molecular Weight412.42 g/mol
Exact Mass412.14
IUPAC Namemethyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1
InChIInChI=1S/C22H21FN2O5/c1-13-18(14(2)30-25-13)12-29-17-7-4-15(5-8-17)10-21(26)24-20-11-16(22(27)28-3)6-9-19(20)23/h4-9,11H,10,12H2,1-3H3,(H,24,26)
InChIKeyANRTWGLTWDDSCY-UHFFFAOYSA-N
XLogP3.98
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate with MolForge

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Launch Full Analysis

Related Compounds

N-(2,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26115421
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-fluoro-5-methylphenyl)benzamide
CID 34233334
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2,5-dimethylphenyl)acetamide
CID 26500066
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylbenzoate
CID 17417015
N-(3,5-dimethoxyphenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 7960814
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(3,5-dimethylphenyl)acetamide
CID 7961030
methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]oxymethyl]benzoate
CID 7771176
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 46623373
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 35028531
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625861
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate?
The IUPAC name of methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate (CID 30469213) is methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate.
What is the SMILES notation for methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate?
The canonical SMILES for methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate is COC(=O)c1ccc(F)c(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1.
What is the InChIKey of methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate?
The InChIKey is ANRTWGLTWDDSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5/c1-13-18(14(2)30-25-13)12-29-17-7-4-15(5-8-17)10-21(26)24-20-11-16(22(27)28-3)6-9-19(20)23/h4-9,11H,10,12H2,1-3H3,(H,24,26).
What are the key properties of methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate?
methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate has a molecular weight of 412.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate is sourced from PubChem (CID 30469213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).