(4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole

C12H13F2NO — CID 142401482

IUPAC(4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1=N[C@@H](c2cc(F)ccc2F)CO1
InChIInChI=1S/C12H13F2NO/c1-7(2)12-15-11(6-16-12)9-5-8(13)3-4-10(9)14/h3-5,7,11H,6H2,1-2H3/t11-/m1/s1
InChIKeyXMYVHROVJFQCHF-LLVKDONJSA-N
MW225.24 g/mol
LogP3.09
Rot. Bonds2

About (4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 142401482) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is (4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID142401482
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1=N[C@@H](c2cc(F)ccc2F)CO1
InChIInChI=1S/C12H13F2NO/c1-7(2)12-15-11(6-16-12)9-5-8(13)3-4-10(9)14/h3-5,7,11H,6H2,1-2H3/t11-/m1/s1
InChIKeyXMYVHROVJFQCHF-LLVKDONJSA-N
XLogP3.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
AG-H-02521
CID 5325154
(4R)-4-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966110
(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966111
(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966114
(4S)-4-(3,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966462
(4S)-4-(3,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966467
4-(2,5-Difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323655
4-(3-Fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323744
(4S)-4-(2,3,4-trifluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323874
(RS)-4-(2,4-Difluoro-phenyl)-4,5-dihydro-oxazol-2-ylamine
CID 59323878
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 142401482) is (4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1=N[C@@H](c2cc(F)ccc2F)CO1.
What is the InChIKey of (4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is XMYVHROVJFQCHF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-7(2)12-15-11(6-16-12)9-5-8(13)3-4-10(9)14/h3-5,7,11H,6H2,1-2H3/t11-/m1/s1.
What are the key properties of (4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 225.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,5-difluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142401482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).