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

C17H16F2N2O3 — CID 129480898

IUPAC(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)no1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C17H16F2N2O3/c18-10-3-4-13(19)12(5-10)15-6-11(22)8-21(15)17(23)16-7-14(20-24-16)9-1-2-9/h3-5,7,9,11,15,22H,1-2,6,8H2/t11-,15+/m1/s1
InChIKeyNKWBLLPCAHDJQK-ABAIWWIYSA-N
MW334.32 g/mol
LogP2.78
Rot. Bonds3

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

(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 129480898) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID129480898
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)no1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C17H16F2N2O3/c18-10-3-4-13(19)12(5-10)15-6-11(22)8-21(15)17(23)16-7-14(20-24-16)9-1-2-9/h3-5,7,9,11,15,22H,1-2,6,8H2/t11-,15+/m1/s1
InChIKeyNKWBLLPCAHDJQK-ABAIWWIYSA-N
XLogP2.78
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.78
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-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone (CID 129480898) is (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone is O=C(c1cc(C2CC2)no1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F.
What is the InChIKey of (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is NKWBLLPCAHDJQK-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-10-3-4-13(19)12(5-10)15-6-11(22)8-21(15)17(23)16-7-14(20-24-16)9-1-2-9/h3-5,7,9,11,15,22H,1-2,6,8H2/t11-,15+/m1/s1.
What are the key properties of (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 334.32 g/mol, XLogP of 2.78, 3 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-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 129480898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).