(1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide

C44H38F2N4O6 — CID 158279058

IUPAC(1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)[C@@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnc(C3CC3)o2)cc1.O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/2C22H19FN2O3/c2*23-22(21(26)25-27)18(14-4-2-1-3-5-14)19(22)15-8-6-13(7-9-15)17-12-24-20(28-17)16-10-11-16/h2*1-9,12,16,18-19,27H,10-11H2,(H,25,26)/t18-,19-,22+;18-,19-,22-/m11/s1
InChIKeyGJZDYJCIVCYXFD-IVDSCDHSSA-N
MW756.81 g/mol
LogP8.63
Rot. Bonds10

About (1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide

(1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide (PubChem CID 158279058) has the molecular formula C44H38F2N4O6 and a molecular weight of 756.81 g/mol. Its IUPAC name is (1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
PubChem CID158279058
Molecular FormulaC44H38F2N4O6
Molecular Weight756.81 g/mol
Exact Mass756.28
IUPAC Name(1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)[C@@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnc(C3CC3)o2)cc1.O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/2C22H19FN2O3/c2*23-22(21(26)25-27)18(14-4-2-1-3-5-14)19(22)15-8-6-13(7-9-15)17-12-24-20(28-17)16-10-11-16/h2*1-9,12,16,18-19,27H,10-11H2,(H,25,26)/t18-,19-,22+;18-,19-,22-/m11/s1
InChIKeyGJZDYJCIVCYXFD-IVDSCDHSSA-N
XLogP8.63
TPSA150.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.81
LogP ≤ 58.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide (CID 158279058) is (1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide is O=C(NO)[C@@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnc(C3CC3)o2)cc1.O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of (1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The InChIKey is GJZDYJCIVCYXFD-IVDSCDHSSA-N. The full InChI is InChI=1S/2C22H19FN2O3/c2*23-22(21(26)25-27)18(14-4-2-1-3-5-14)19(22)15-8-6-13(7-9-15)17-12-24-20(28-17)16-10-11-16/h2*1-9,12,16,18-19,27H,10-11H2,(H,25,26)/t18-,19-,22+;18-,19-,22-/m11/s1.
What are the key properties of (1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
(1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide has a molecular weight of 756.81 g/mol, XLogP of 8.63, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 158279058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).