methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate

C17H13FN2O3 — CID 139434494

IUPACmethyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cnc(Nc3ccccc3F)o2)cc1
InChIInChI=1S/C17H13FN2O3/c1-22-16(21)12-8-6-11(7-9-12)15-10-19-17(23-15)20-14-5-3-2-4-13(14)18/h2-10H,1H3,(H,19,20)
InChIKeyKNLQEBDVRLUWCK-UHFFFAOYSA-N
MW312.30 g/mol
LogP4.01
Rot. Bonds4

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

methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate (PubChem CID 139434494) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate
PubChem CID139434494
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Namemethyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cnc(Nc3ccccc3F)o2)cc1
InChIInChI=1S/C17H13FN2O3/c1-22-16(21)12-8-6-11(7-9-12)15-10-19-17(23-15)20-14-5-3-2-4-13(14)18/h2-10H,1H3,(H,19,20)
InChIKeyKNLQEBDVRLUWCK-UHFFFAOYSA-N
XLogP4.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-Diphenyl-2-oxazolamine
CID 5329404
2-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzonitrile
CID 5329843
N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329844
3-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzonitrile
CID 5329845
3-(5-Phenyl-oxazol-2-ylamino)phenylmethanol
CID 5329847
N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329849
4-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide
CID 5329850
N-(4-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329851
1-Cycloheptyl-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10526683
5-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)oxazol-2-amine
CID 11711943
8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-3,4-dihydronaphthalen-2(1H)-one
CID 11955840
N1-[5-(4-Trifluoromethylphenyl)oxazol-2-yl]-5,6,7,8-tetrahydronaphthalene-1,7-diamine
CID 11964241

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate?
The IUPAC name of methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate (CID 139434494) is methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate?
The canonical SMILES for methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate is COC(=O)c1ccc(-c2cnc(Nc3ccccc3F)o2)cc1.
What is the InChIKey of methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate?
The InChIKey is KNLQEBDVRLUWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-22-16(21)12-8-6-11(7-9-12)15-10-19-17(23-15)20-14-5-3-2-4-13(14)18/h2-10H,1H3,(H,19,20).
What are the key properties of methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate?
methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate has a molecular weight of 312.30 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate is sourced from PubChem (CID 139434494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).