N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine

C15H18F2N2O2 — CID 62450542

IUPACN-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C15H18F2N2O2/c1-10(2)7-18-8-12-6-13(21-19-12)9-20-15-4-3-11(16)5-14(15)17/h3-6,10,18H,7-9H2,1-2H3
InChIKeyBVQIHVQFZZOSOX-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.28
Rot. Bonds7

About N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine

N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62450542) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62450542
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC NameN-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C15H18F2N2O2/c1-10(2)7-18-8-12-6-13(21-19-12)9-20-15-4-3-11(16)5-14(15)17/h3-6,10,18H,7-9H2,1-2H3
InChIKeyBVQIHVQFZZOSOX-UHFFFAOYSA-N
XLogP3.28
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (CID 62450542) is N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(COc2ccc(F)cc2F)on1.
What is the InChIKey of N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BVQIHVQFZZOSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-10(2)7-18-8-12-6-13(21-19-12)9-20-15-4-3-11(16)5-14(15)17/h3-6,10,18H,7-9H2,1-2H3.
What are the key properties of N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 296.32 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62450542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).