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

C13H16F2N2O — CID 24968609

IUPAC(4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC(C[C@H]1COC(N)=N1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2O/c1-2-8(5-10-7-18-13(16)17-10)9-3-4-11(14)12(15)6-9/h3-4,6,8,10H,2,5,7H2,1H3,(H2,16,17)/t8?,10-/m0/s1
InChIKeyXRGFQKKCQUKQPE-HTLJXXAVSA-N
MW254.28 g/mol
LogP2.56
Rot. Bonds4

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

(4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24968609) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24968609
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC(C[C@H]1COC(N)=N1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2O/c1-2-8(5-10-7-18-13(16)17-10)9-3-4-11(14)12(15)6-9/h3-4,6,8,10H,2,5,7H2,1H3,(H2,16,17)/t8?,10-/m0/s1
InChIKeyXRGFQKKCQUKQPE-HTLJXXAVSA-N
XLogP2.56
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[2-(3,4-difluorophenyl)butyl]-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-((S)-2-Phenylbutyl)-4,5-dihydrooxazol-2-amine
CID 24963286
RO-5263397
CID 56835991
(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59824833
(4S)-4,5-Dihydro-4-[(2R)-2-phenylbutyl]-2-oxazolamine
CID 24963287
(S)-4-Benzyl-4,5-dihydrooxazol-2-amine
CID 54333224
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323798
(4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323844
(4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323854
(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967182
(4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967189
(4S)-4-[2-(4-fluoro-3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967909

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 24968609) is (4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine is CCC(C[C@H]1COC(N)=N1)c1ccc(F)c(F)c1.
What is the InChIKey of (4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is XRGFQKKCQUKQPE-HTLJXXAVSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-2-8(5-10-7-18-13(16)17-10)9-3-4-11(14)12(15)6-9/h3-4,6,8,10H,2,5,7H2,1H3,(H2,16,17)/t8?,10-/m0/s1.
What are the key properties of (4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 254.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24968609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).