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

C14H18F2N2O — CID 45101104

IUPAC(4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC(CC[C@H]1COC(N)=N1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2N2O/c1-2-9(3-4-13-8-19-14(17)18-13)10-5-11(15)7-12(16)6-10/h5-7,9,13H,2-4,8H2,1H3,(H2,17,18)/t9?,13-/m0/s1
InChIKeyXBEMACKBPFOIJR-NCWAPJAISA-N
MW268.31 g/mol
LogP2.95
Rot. Bonds5

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

(4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 45101104) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is (4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID45101104
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC(CC[C@H]1COC(N)=N1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2N2O/c1-2-9(3-4-13-8-19-14(17)18-13)10-5-11(15)7-12(16)6-10/h5-7,9,13H,2-4,8H2,1H3,(H2,17,18)/t9?,13-/m0/s1
InChIKeyXBEMACKBPFOIJR-NCWAPJAISA-N
XLogP2.95
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 45101104) is (4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine is CCC(CC[C@H]1COC(N)=N1)c1cc(F)cc(F)c1.
What is the InChIKey of (4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is XBEMACKBPFOIJR-NCWAPJAISA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-2-9(3-4-13-8-19-14(17)18-13)10-5-11(15)7-12(16)6-10/h5-7,9,13H,2-4,8H2,1H3,(H2,17,18)/t9?,13-/m0/s1.
What are the key properties of (4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 268.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(3,5-difluorophenyl)pentyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 45101104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).