(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone

C18H19FN2O3 — CID 100687469

IUPAC(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESCc1nc(C2CC2)oc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-10-16(24-17(20-10)12-2-3-12)18(23)21-9-14(22)8-15(21)11-4-6-13(19)7-5-11/h4-7,12,14-15,22H,2-3,8-9H2,1H3/t14-,15-/m1/s1
InChIKeyWJUOVOVAIHZOEC-HUUCEWRRSA-N
MW330.36 g/mol
LogP2.95
Rot. Bonds3

About (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone

(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 100687469) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID100687469
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESCc1nc(C2CC2)oc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-10-16(24-17(20-10)12-2-3-12)18(23)21-9-14(22)8-15(21)11-4-6-13(19)7-5-11/h4-7,12,14-15,22H,2-3,8-9H2,1H3/t14-,15-/m1/s1
InChIKeyWJUOVOVAIHZOEC-HUUCEWRRSA-N
XLogP2.95
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone (CID 100687469) is (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone is Cc1nc(C2CC2)oc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is WJUOVOVAIHZOEC-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-10-16(24-17(20-10)12-2-3-12)18(23)21-9-14(22)8-15(21)11-4-6-13(19)7-5-11/h4-7,12,14-15,22H,2-3,8-9H2,1H3/t14-,15-/m1/s1.
What are the key properties of (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 330.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 100687469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).