(2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide

C23H28FN3O3 — CID 126545604

IUPAC(2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide
SMILESCC[C@](C)(C[C@H]1CC(c2ccc(-c3ccnc(C(C)C)c3)c(F)c2)=NO1)C(=O)NO
InChIInChI=1S/C23H28FN3O3/c1-5-23(4,22(28)26-29)13-17-12-21(27-30-17)16-6-7-18(19(24)10-16)15-8-9-25-20(11-15)14(2)3/h6-11,14,17,29H,5,12-13H2,1-4H3,(H,26,28)/t17-,23-/m1/s1
InChIKeyBZMFVLZUAKOOSI-UZUQRXQVSA-N
MW413.49 g/mol
LogP4.82
Rot. Bonds7

About (2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide

(2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide (PubChem CID 126545604) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is (2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide
PubChem CID126545604
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name(2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide
SMILESCC[C@](C)(C[C@H]1CC(c2ccc(-c3ccnc(C(C)C)c3)c(F)c2)=NO1)C(=O)NO
InChIInChI=1S/C23H28FN3O3/c1-5-23(4,22(28)26-29)13-17-12-21(27-30-17)16-6-7-18(19(24)10-16)15-8-9-25-20(11-15)14(2)3/h6-11,14,17,29H,5,12-13H2,1-4H3,(H,26,28)/t17-,23-/m1/s1
InChIKeyBZMFVLZUAKOOSI-UZUQRXQVSA-N
XLogP4.82
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide 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 (2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide?
The IUPAC name of (2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide (CID 126545604) is (2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide.
What is the SMILES notation for (2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide?
The canonical SMILES for (2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide is CC[C@](C)(C[C@H]1CC(c2ccc(-c3ccnc(C(C)C)c3)c(F)c2)=NO1)C(=O)NO.
What is the InChIKey of (2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide?
The InChIKey is BZMFVLZUAKOOSI-UZUQRXQVSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-5-23(4,22(28)26-29)13-17-12-21(27-30-17)16-6-7-18(19(24)10-16)15-8-9-25-20(11-15)14(2)3/h6-11,14,17,29H,5,12-13H2,1-4H3,(H,26,28)/t17-,23-/m1/s1.
What are the key properties of (2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide?
(2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide has a molecular weight of 413.49 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide is sourced from PubChem (CID 126545604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).