[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C19H18FN3O4 — CID 5309098

IUPAC[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
InChIInChI=1S/C19H18FN3O4/c20-14-5-3-13(4-6-14)15-12-17(27-21-15)19(25)23-9-7-22(8-10-23)18(24)16-2-1-11-26-16/h1-6,11,17H,7-10,12H2
InChIKeyMJILPSFYCSSWTI-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.90
Rot. Bonds3

About [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 5309098) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID5309098
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
InChIInChI=1S/C19H18FN3O4/c20-14-5-3-13(4-6-14)15-12-17(27-21-15)19(25)23-9-7-22(8-10-23)18(24)16-2-1-11-26-16/h1-6,11,17H,7-10,12H2
InChIKeyMJILPSFYCSSWTI-UHFFFAOYSA-N
XLogP1.90
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 5309098) is [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is MJILPSFYCSSWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c20-14-5-3-13(4-6-14)15-12-17(27-21-15)19(25)23-9-7-22(8-10-23)18(24)16-2-1-11-26-16/h1-6,11,17H,7-10,12H2.
What are the key properties of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 371.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 5309098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).