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

C9H8F2N2O — CID 24966111

IUPAC(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2cccc(F)c2F)CO1
InChIInChI=1S/C9H8F2N2O/c10-6-3-1-2-5(8(6)11)7-4-14-9(12)13-7/h1-3,7H,4H2,(H2,12,13)/t7-/m1/s1
InChIKeyBSTOJJWFQKRLRH-SSDOTTSWSA-N
MW198.17 g/mol
LogP1.35
Rot. Bonds1

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

(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24966111) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is (4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24966111
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2cccc(F)c2F)CO1
InChIInChI=1S/C9H8F2N2O/c10-6-3-1-2-5(8(6)11)7-4-14-9(12)13-7/h1-3,7H,4H2,(H2,12,13)/t7-/m1/s1
InChIKeyBSTOJJWFQKRLRH-SSDOTTSWSA-N
XLogP1.35
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 24966111) is (4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2cccc(F)c2F)CO1.
What is the InChIKey of (4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BSTOJJWFQKRLRH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H8F2N2O/c10-6-3-1-2-5(8(6)11)7-4-14-9(12)13-7/h1-3,7H,4H2,(H2,12,13)/t7-/m1/s1.
What are the key properties of (4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 198.17 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24966111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).