(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

C9H8F2N2O — CID 24966114

IUPAC(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2cc(F)ccc2F)CO1
InChIInChI=1S/C9H8F2N2O/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1
InChIKeyDOHUERHYWORZTB-MRVPVSSYSA-N
MW198.17 g/mol
LogP1.35
Rot. Bonds1

About (4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24966114) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is (4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24966114
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2cc(F)ccc2F)CO1
InChIInChI=1S/C9H8F2N2O/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1
InChIKeyDOHUERHYWORZTB-MRVPVSSYSA-N
XLogP1.35
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine 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-(4-Bromophenyl)-4,5-dihydrooxazol-2-amine
CID 24966115
(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59824833
(S)-Rexamino
CID 11116360
(4S)-4-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966106
(S)-4-(4-Chlorophenyl)-4,5-dihydrooxazol-2-amine
CID 24966108
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
(S)-4-Benzyl-4,5-dihydrooxazol-2-amine
CID 54333224
RO-5263397
CID 56835991
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(S)-4-(3-Chlorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323754
(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323758
(4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323798

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 24966114) is (4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2cc(F)ccc2F)CO1.
What is the InChIKey of (4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is DOHUERHYWORZTB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1.
What are the key properties of (4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 198.17 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24966114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).