(4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine

C12H15FN2O — CID 59323774

IUPAC(4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(CCc2ccc(F)cc2)COC(N)=N1
InChIInChI=1S/C12H15FN2O/c1-12(8-16-11(14)15-12)7-6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H2,14,15)/t12-/m0/s1
InChIKeyMWPZMRIIXBFWLD-LBPRGKRZSA-N
MW222.26 g/mol
LogP1.86
Rot. Bonds3

About (4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine

(4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine (PubChem CID 59323774) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine
PubChem CID59323774
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(CCc2ccc(F)cc2)COC(N)=N1
InChIInChI=1S/C12H15FN2O/c1-12(8-16-11(14)15-12)7-6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H2,14,15)/t12-/m0/s1
InChIKeyMWPZMRIIXBFWLD-LBPRGKRZSA-N
XLogP1.86
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine (CID 59323774) is (4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine is C[C@]1(CCc2ccc(F)cc2)COC(N)=N1.
What is the InChIKey of (4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine?
The InChIKey is MWPZMRIIXBFWLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-12(8-16-11(14)15-12)7-6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H2,14,15)/t12-/m0/s1.
What are the key properties of (4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine?
(4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine has a molecular weight of 222.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 59323774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).