N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide

C19H19FN4O3 — CID 55914978

IUPACN-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(C)c2nc(C3CC3)no2)ccc1F
InChIInChI=1S/C19H19FN4O3/c1-10(19-23-17(24-27-19)12-3-4-12)21-13-5-6-15(20)16(9-13)22-18(25)14-7-8-26-11(14)2/h5-10,12,21H,3-4H2,1-2H3,(H,22,25)
InChIKeyAOBTVONASMWHBJ-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.41
Rot. Bonds6

About N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide

N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide (PubChem CID 55914978) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
PubChem CID55914978
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(C)c2nc(C3CC3)no2)ccc1F
InChIInChI=1S/C19H19FN4O3/c1-10(19-23-17(24-27-19)12-3-4-12)21-13-5-6-15(20)16(9-13)22-18(25)14-7-8-26-11(14)2/h5-10,12,21H,3-4H2,1-2H3,(H,22,25)
InChIKeyAOBTVONASMWHBJ-UHFFFAOYSA-N
XLogP4.41
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide (CID 55914978) is N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(NC(C)c2nc(C3CC3)no2)ccc1F.
What is the InChIKey of N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The InChIKey is AOBTVONASMWHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-10(19-23-17(24-27-19)12-3-4-12)21-13-5-6-15(20)16(9-13)22-18(25)14-7-8-26-11(14)2/h5-10,12,21H,3-4H2,1-2H3,(H,22,25).
What are the key properties of N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55914978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).