2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide

C15H20FN3O2 — CID 166122173

IUPAC2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C=C\F.c1nc(C2CC2)oc1[C@@H]1CCCCO1
InChIInChI=1S/C11H15NO2.C4H5FN2/c1-2-6-13-9(3-1)10-7-12-11(14-10)8-4-5-8;5-2-1-3-7-4-6/h7-9H,1-6H2;1-4,6H/b;2-1-,6-4+,7-3+/t9-;/m0./s1
InChIKeyKIZFIPZYTUCIKK-IUXMVSOJSA-N
MW293.34 g/mol
LogP3.94
Rot. Bonds4

About 2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide

2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide (PubChem CID 166122173) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide
PubChem CID166122173
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C=C\F.c1nc(C2CC2)oc1[C@@H]1CCCCO1
InChIInChI=1S/C11H15NO2.C4H5FN2/c1-2-6-13-9(3-1)10-7-12-11(14-10)8-4-5-8;5-2-1-3-7-4-6/h7-9H,1-6H2;1-4,6H/b;2-1-,6-4+,7-3+/t9-;/m0./s1
InChIKeyKIZFIPZYTUCIKK-IUXMVSOJSA-N
XLogP3.94
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide?
The IUPAC name of 2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide (CID 166122173) is 2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide.
What is the SMILES notation for 2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide?
The canonical SMILES for 2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide is [H]/N=C/N=C/C=C\F.c1nc(C2CC2)oc1[C@@H]1CCCCO1.
What is the InChIKey of 2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide?
The InChIKey is KIZFIPZYTUCIKK-IUXMVSOJSA-N. The full InChI is InChI=1S/C11H15NO2.C4H5FN2/c1-2-6-13-9(3-1)10-7-12-11(14-10)8-4-5-8;5-2-1-3-7-4-6/h7-9H,1-6H2;1-4,6H/b;2-1-,6-4+,7-3+/t9-;/m0./s1.
What are the key properties of 2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide?
2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide has a molecular weight of 293.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(2S)-oxan-2-yl]-1,3-oxazole;N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide is sourced from PubChem (CID 166122173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).