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

C10H11FN2O — CID 59323682

IUPAC(4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cc(F)ccc1[C@H]1COC(N)=N1
InChIInChI=1S/C10H11FN2O/c1-6-4-7(11)2-3-8(6)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1
InChIKeyZRHBQUZKGHMXNZ-SECBINFHSA-N
MW194.21 g/mol
LogP1.52
Rot. Bonds1

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

(4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323682) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is (4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323682
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name(4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cc(F)ccc1[C@H]1COC(N)=N1
InChIInChI=1S/C10H11FN2O/c1-6-4-7(11)2-3-8(6)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1
InChIKeyZRHBQUZKGHMXNZ-SECBINFHSA-N
XLogP1.52
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323682) is (4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is Cc1cc(F)ccc1[C@H]1COC(N)=N1.
What is the InChIKey of (4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is ZRHBQUZKGHMXNZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-6-4-7(11)2-3-8(6)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1.
What are the key properties of (4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 194.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).