(5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate

C17H14FNO5 — CID 28572250

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
SMILESCc1cc(COC(=O)c2ccc(COc3ccc(F)cc3)o2)no1
InChIInChI=1S/C17H14FNO5/c1-11-8-13(19-24-11)9-22-17(20)16-7-6-15(23-16)10-21-14-4-2-12(18)3-5-14/h2-8H,9-10H2,1H3
InChIKeyUNLLFMXZGFPCFI-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.65
Rot. Bonds6

About (5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate

(5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate (PubChem CID 28572250) has the molecular formula C17H14FNO5 and a molecular weight of 331.30 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
PubChem CID28572250
Molecular FormulaC17H14FNO5
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
SMILESCc1cc(COC(=O)c2ccc(COc3ccc(F)cc3)o2)no1
InChIInChI=1S/C17H14FNO5/c1-11-8-13(19-24-11)9-22-17(20)16-7-6-15(23-16)10-21-14-4-2-12(18)3-5-14/h2-8H,9-10H2,1H3
InChIKeyUNLLFMXZGFPCFI-UHFFFAOYSA-N
XLogP3.65
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46789677
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46789661
ethyl 4-amino-2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24557681
ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
CID 10017085
(5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8679063
[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanamine
CID 62454470
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 39799937
(5-methyl-1,2-oxazol-3-yl)methyl 3-fluoro-4-methylbenzoate
CID 52515134
[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-phenylmethanone
CID 9137989
5-[(4-fluorophenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]furan-2-carboxamide
CID 87041338
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate (CID 28572250) is (5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate is Cc1cc(COC(=O)c2ccc(COc3ccc(F)cc3)o2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The InChIKey is UNLLFMXZGFPCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO5/c1-11-8-13(19-24-11)9-22-17(20)16-7-6-15(23-16)10-21-14-4-2-12(18)3-5-14/h2-8H,9-10H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
(5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate has a molecular weight of 331.30 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 28572250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).