(5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone

C15H14F2N2O2 — CID 22621036

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone
SMILESCCNc1c(C(=O)c2cnoc2C2CC2)ccc(F)c1F
InChIInChI=1S/C15H14F2N2O2/c1-2-18-13-9(5-6-11(16)12(13)17)14(20)10-7-19-21-15(10)8-3-4-8/h5-8,18H,2-4H2,1H3
InChIKeyQTZWETIKFDRSAZ-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.49
Rot. Bonds5

About (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone (PubChem CID 22621036) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone
PubChem CID22621036
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone
SMILESCCNc1c(C(=O)c2cnoc2C2CC2)ccc(F)c1F
InChIInChI=1S/C15H14F2N2O2/c1-2-18-13-9(5-6-11(16)12(13)17)14(20)10-7-19-21-15(10)8-3-4-8/h5-8,18H,2-4H2,1H3
InChIKeyQTZWETIKFDRSAZ-UHFFFAOYSA-N
XLogP3.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.49
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)-3,4-difluorophenyl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone (CID 22621036) is (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone is CCNc1c(C(=O)c2cnoc2C2CC2)ccc(F)c1F.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone?
The InChIKey is QTZWETIKFDRSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-2-18-13-9(5-6-11(16)12(13)17)14(20)10-7-19-21-15(10)8-3-4-8/h5-8,18H,2-4H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-(ethylamino)-3,4-difluorophenyl]methanone has a molecular weight of 292.29 g/mol, XLogP of 3.49, 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)-3,4-difluorophenyl]methanone is sourced from PubChem (CID 22621036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).