methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate

C17H14FN3O4 — CID 75506103

IUPACmethyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(C(=O)Nc2c(-c3ccc(F)cc3)ncn2C)c1
InChIInChI=1S/C17H14FN3O4/c1-21-9-19-14(10-3-5-12(18)6-4-10)15(21)20-16(22)13-7-11(8-25-13)17(23)24-2/h3-9H,1-2H3,(H,20,22)
InChIKeyLWZAKASVCLLZSV-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.86
Rot. Bonds4

About methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate

methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate (PubChem CID 75506103) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate
PubChem CID75506103
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Namemethyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(C(=O)Nc2c(-c3ccc(F)cc3)ncn2C)c1
InChIInChI=1S/C17H14FN3O4/c1-21-9-19-14(10-3-5-12(18)6-4-10)15(21)20-16(22)13-7-11(8-25-13)17(23)24-2/h3-9H,1-2H3,(H,20,22)
InChIKeyLWZAKASVCLLZSV-UHFFFAOYSA-N
XLogP2.86
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-hydroxypyridine-2-carboxamide
CID 86801923
methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate
CID 75477756
N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537507
N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide
CID 91942855
5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607090
methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate
CID 42227239
methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate
CID 22479901
methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 165123998
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate
CID 58119372
methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 5303442

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate (CID 75506103) is methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate is COC(=O)c1coc(C(=O)Nc2c(-c3ccc(F)cc3)ncn2C)c1.
What is the InChIKey of methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate?
The InChIKey is LWZAKASVCLLZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-21-9-19-14(10-3-5-12(18)6-4-10)15(21)20-16(22)13-7-11(8-25-13)17(23)24-2/h3-9H,1-2H3,(H,20,22).
What are the key properties of methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate?
methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate has a molecular weight of 343.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]furan-3-carboxylate is sourced from PubChem (CID 75506103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).