(5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone

C15H15FN2O2 — CID 22621054

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone
SMILESCCNc1cc(F)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C15H15FN2O2/c1-2-17-13-7-10(16)5-6-11(13)14(19)12-8-18-20-15(12)9-3-4-9/h5-9,17H,2-4H2,1H3
InChIKeySSNRVMFQEFDRQG-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.35
Rot. Bonds5

About (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone (PubChem CID 22621054) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone
PubChem CID22621054
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone
SMILESCCNc1cc(F)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C15H15FN2O2/c1-2-17-13-7-10(16)5-6-11(13)14(19)12-8-18-20-15(12)9-3-4-9/h5-9,17H,2-4H2,1H3
InChIKeySSNRVMFQEFDRQG-UHFFFAOYSA-N
XLogP3.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone (CID 22621054) is (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone is CCNc1cc(F)ccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone?
The InChIKey is SSNRVMFQEFDRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-17-13-7-10(16)5-6-11(13)14(19)12-8-18-20-15(12)9-3-4-9/h5-9,17H,2-4H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone has a molecular weight of 274.30 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-4-fluorophenyl]methanone is sourced from PubChem (CID 22621054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).