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

C14H14F3N3O2 — CID 45111374

IUPAC(2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
SMILESC[C@H](C(N)=O)c1ccc(N(C)c2nc(C(F)(F)F)co2)cc1
InChIInChI=1S/C14H14F3N3O2/c1-8(12(18)21)9-3-5-10(6-4-9)20(2)13-19-11(7-22-13)14(15,16)17/h3-8H,1-2H3,(H2,18,21)/t8-/m0/s1
InChIKeyHAYVAQQHDVELQB-QMMMGPOBSA-N
MW313.28 g/mol
LogP3.05
Rot. Bonds4

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

(2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide (PubChem CID 45111374) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is (2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
PubChem CID45111374
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name(2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
SMILESC[C@H](C(N)=O)c1ccc(N(C)c2nc(C(F)(F)F)co2)cc1
InChIInChI=1S/C14H14F3N3O2/c1-8(12(18)21)9-3-5-10(6-4-9)20(2)13-19-11(7-22-13)14(15,16)17/h3-8H,1-2H3,(H2,18,21)/t8-/m0/s1
InChIKeyHAYVAQQHDVELQB-QMMMGPOBSA-N
XLogP3.05
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide 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 (2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
The IUPAC name of (2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide (CID 45111374) is (2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for (2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
The canonical SMILES for (2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide is C[C@H](C(N)=O)c1ccc(N(C)c2nc(C(F)(F)F)co2)cc1.
What is the InChIKey of (2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
The InChIKey is HAYVAQQHDVELQB-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8(12(18)21)9-3-5-10(6-4-9)20(2)13-19-11(7-22-13)14(15,16)17/h3-8H,1-2H3,(H2,18,21)/t8-/m0/s1.
What are the key properties of (2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
(2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide has a molecular weight of 313.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[methyl-[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 45111374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).