(4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole

C11H11F2NO — CID 135295868

IUPAC(4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=N[C@@H](Cc2c(F)cccc2F)CO1
InChIInChI=1S/C11H11F2NO/c1-7-14-8(6-15-7)5-9-10(12)3-2-4-11(9)13/h2-4,8H,5-6H2,1H3/t8-/m0/s1
InChIKeyMXGCXDOJDOPNQS-QMMMGPOBSA-N
MW211.21 g/mol
LogP2.32
Rot. Bonds2

About (4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole

(4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 135295868) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is (4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID135295868
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name(4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=N[C@@H](Cc2c(F)cccc2F)CO1
InChIInChI=1S/C11H11F2NO/c1-7-14-8(6-15-7)5-9-10(12)3-2-4-11(9)13/h2-4,8H,5-6H2,1H3/t8-/m0/s1
InChIKeyMXGCXDOJDOPNQS-QMMMGPOBSA-N
XLogP2.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole (CID 135295868) is (4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole is CC1=N[C@@H](Cc2c(F)cccc2F)CO1.
What is the InChIKey of (4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is MXGCXDOJDOPNQS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-7-14-8(6-15-7)5-9-10(12)3-2-4-11(9)13/h2-4,8H,5-6H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole?
(4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 211.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135295868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).