(2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide

C13H12F3N3O3 — CID 45111070

IUPAC(2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
SMILESC[C@H](C(=O)NO)c1ccc(Nc2nc(C(F)(F)F)co2)cc1
InChIInChI=1S/C13H12F3N3O3/c1-7(11(20)19-21)8-2-4-9(5-3-8)17-12-18-10(6-22-12)13(14,15)16/h2-7,21H,1H3,(H,17,18)(H,19,20)/t7-/m0/s1
InChIKeyXZSNMIFWZAAWAV-ZETCQYMHSA-N
MW315.25 g/mol
LogP3.05
Rot. Bonds4

About (2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide

(2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide (PubChem CID 45111070) has the molecular formula C13H12F3N3O3 and a molecular weight of 315.25 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
PubChem CID45111070
Molecular FormulaC13H12F3N3O3
Molecular Weight315.25 g/mol
Exact Mass315.08
IUPAC Name(2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
SMILESC[C@H](C(=O)NO)c1ccc(Nc2nc(C(F)(F)F)co2)cc1
InChIInChI=1S/C13H12F3N3O3/c1-7(11(20)19-21)8-2-4-9(5-3-8)17-12-18-10(6-22-12)13(14,15)16/h2-7,21H,1H3,(H,17,18)(H,19,20)/t7-/m0/s1
InChIKeyXZSNMIFWZAAWAV-ZETCQYMHSA-N
XLogP3.05
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.05
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
The IUPAC name of (2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide (CID 45111070) is (2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
The canonical SMILES for (2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide is C[C@H](C(=O)NO)c1ccc(Nc2nc(C(F)(F)F)co2)cc1.
What is the InChIKey of (2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
The InChIKey is XZSNMIFWZAAWAV-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H12F3N3O3/c1-7(11(20)19-21)8-2-4-9(5-3-8)17-12-18-10(6-22-12)13(14,15)16/h2-7,21H,1H3,(H,17,18)(H,19,20)/t7-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
(2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide has a molecular weight of 315.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 45111070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).