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

C14H18F2N2O — CID 68716156

IUPAC4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C)C(CC1COC(N)=N1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2N2O/c1-8(2)13(6-12-7-19-14(17)18-12)9-3-10(15)5-11(16)4-9/h3-5,8,12-13H,6-7H2,1-2H3,(H2,17,18)
InChIKeyBMSMGNNFDCHWSK-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.81
Rot. Bonds4

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

4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 68716156) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID68716156
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C)C(CC1COC(N)=N1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2N2O/c1-8(2)13(6-12-7-19-14(17)18-12)9-3-10(15)5-11(16)4-9/h3-5,8,12-13H,6-7H2,1-2H3,(H2,17,18)
InChIKeyBMSMGNNFDCHWSK-UHFFFAOYSA-N
XLogP2.81
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 68716156) is 4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine is CC(C)C(CC1COC(N)=N1)c1cc(F)cc(F)c1.
What is the InChIKey of 4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BMSMGNNFDCHWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-8(2)13(6-12-7-19-14(17)18-12)9-3-10(15)5-11(16)4-9/h3-5,8,12-13H,6-7H2,1-2H3,(H2,17,18).
What are the key properties of 4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 268.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 68716156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).