2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid

C19H20FNO5 — CID 120822146

IUPAC2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1C(=O)O
InChIInChI=1S/C19H20FNO5/c1-2-15-14(18(23)24)11-16(26-15)17(22)21-19(6-8-25-9-7-19)12-4-3-5-13(20)10-12/h3-5,10-11H,2,6-9H2,1H3,(H,21,22)(H,23,24)
InChIKeyRJUCDRXDLMGEOO-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.12
Rot. Bonds5

About 2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid (PubChem CID 120822146) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid
PubChem CID120822146
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1C(=O)O
InChIInChI=1S/C19H20FNO5/c1-2-15-14(18(23)24)11-16(26-15)17(22)21-19(6-8-25-9-7-19)12-4-3-5-13(20)10-12/h3-5,10-11H,2,6-9H2,1H3,(H,21,22)(H,23,24)
InChIKeyRJUCDRXDLMGEOO-UHFFFAOYSA-N
XLogP3.12
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid (CID 120822146) is 2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is RJUCDRXDLMGEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-2-15-14(18(23)24)11-16(26-15)17(22)21-19(6-8-25-9-7-19)12-4-3-5-13(20)10-12/h3-5,10-11H,2,6-9H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 361.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).