(4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride

C10H12ClFN2O — CID 146018955

IUPAC(4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride
SMILESCc1c(F)cccc1[C@H]1COC(N)=N1.Cl
InChIInChI=1S/C10H11FN2O.ClH/c1-6-7(3-2-4-8(6)11)9-5-14-10(12)13-9;/h2-4,9H,5H2,1H3,(H2,12,13);1H/t9-;/m1./s1
InChIKeyJFAYMXKBMDRFHY-SBSPUUFOSA-N
MW230.67 g/mol
LogP1.94
Rot. Bonds1

About (4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride

(4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride (PubChem CID 146018955) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is (4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride
PubChem CID146018955
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name(4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride
SMILESCc1c(F)cccc1[C@H]1COC(N)=N1.Cl
InChIInChI=1S/C10H11FN2O.ClH/c1-6-7(3-2-4-8(6)11)9-5-14-10(12)13-9;/h2-4,9H,5H2,1H3,(H2,12,13);1H/t9-;/m1./s1
InChIKeyJFAYMXKBMDRFHY-SBSPUUFOSA-N
XLogP1.94
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride?
The IUPAC name of (4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride (CID 146018955) is (4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride.
What is the SMILES notation for (4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride?
The canonical SMILES for (4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride is Cc1c(F)cccc1[C@H]1COC(N)=N1.Cl.
What is the InChIKey of (4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride?
The InChIKey is JFAYMXKBMDRFHY-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11FN2O.ClH/c1-6-7(3-2-4-8(6)11)9-5-14-10(12)13-9;/h2-4,9H,5H2,1H3,(H2,12,13);1H/t9-;/m1./s1.
What are the key properties of (4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride?
(4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride has a molecular weight of 230.67 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride is sourced from PubChem (CID 146018955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).