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

C13H12F3N3O2 — CID 45111376

IUPAC(2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
SMILESC[C@H](C(N)=O)c1ccc(Nc2nc(C(F)(F)F)co2)cc1
InChIInChI=1S/C13H12F3N3O2/c1-7(11(17)20)8-2-4-9(5-3-8)18-12-19-10(6-21-12)13(14,15)16/h2-7H,1H3,(H2,17,20)(H,18,19)/t7-/m0/s1
InChIKeyLOHRBNWFZDNPBQ-ZETCQYMHSA-N
MW299.25 g/mol
LogP3.03
Rot. Bonds4

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

(2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide (PubChem CID 45111376) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is (2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
PubChem CID45111376
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name(2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
SMILESC[C@H](C(N)=O)c1ccc(Nc2nc(C(F)(F)F)co2)cc1
InChIInChI=1S/C13H12F3N3O2/c1-7(11(17)20)8-2-4-9(5-3-8)18-12-19-10(6-21-12)13(14,15)16/h2-7H,1H3,(H2,17,20)(H,18,19)/t7-/m0/s1
InChIKeyLOHRBNWFZDNPBQ-ZETCQYMHSA-N
XLogP3.03
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
The IUPAC name of (2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide (CID 45111376) is (2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for (2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
The canonical SMILES for (2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide is C[C@H](C(N)=O)c1ccc(Nc2nc(C(F)(F)F)co2)cc1.
What is the InChIKey of (2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
The InChIKey is LOHRBNWFZDNPBQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-7(11(17)20)8-2-4-9(5-3-8)18-12-19-10(6-21-12)13(14,15)16/h2-7H,1H3,(H2,17,20)(H,18,19)/t7-/m0/s1.
What are the key properties of (2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
(2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide has a molecular weight of 299.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 45111376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).