(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone

C18H20FN3O2 — CID 154758654

IUPAC(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
SMILESO=C(c1conc1C1CC1)N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C18H20FN3O2/c19-15-3-1-2-4-16(15)20-13-7-9-22(10-8-13)18(23)14-11-24-21-17(14)12-5-6-12/h1-4,11-13,20H,5-10H2
InChIKeyNWVAIWJQVAKYTD-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.41
Rot. Bonds4

About (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone

(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone (PubChem CID 154758654) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
PubChem CID154758654
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
SMILESO=C(c1conc1C1CC1)N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C18H20FN3O2/c19-15-3-1-2-4-16(15)20-13-7-9-22(10-8-13)18(23)14-11-24-21-17(14)12-5-6-12/h1-4,11-13,20H,5-10H2
InChIKeyNWVAIWJQVAKYTD-UHFFFAOYSA-N
XLogP3.41
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone (CID 154758654) is (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone is O=C(c1conc1C1CC1)N1CCC(Nc2ccccc2F)CC1.
What is the InChIKey of (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone?
The InChIKey is NWVAIWJQVAKYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-3-1-2-4-16(15)20-13-7-9-22(10-8-13)18(23)14-11-24-21-17(14)12-5-6-12/h1-4,11-13,20H,5-10H2.
What are the key properties of (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone?
(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone has a molecular weight of 329.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 154758654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).