1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine

C15H18F2N2O2 — CID 79882774

IUPAC1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OCc2cc(C)on2)c(F)c1
InChIInChI=1S/C15H18F2N2O2/c1-3-11(18)5-10-6-13(16)15(14(17)7-10)20-8-12-4-9(2)21-19-12/h4,6-7,11H,3,5,8,18H2,1-2H3
InChIKeyQPYFYQIKIDXZRR-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.12
Rot. Bonds6

About 1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine

1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine (PubChem CID 79882774) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine
PubChem CID79882774
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OCc2cc(C)on2)c(F)c1
InChIInChI=1S/C15H18F2N2O2/c1-3-11(18)5-10-6-13(16)15(14(17)7-10)20-8-12-4-9(2)21-19-12/h4,6-7,11H,3,5,8,18H2,1-2H3
InChIKeyQPYFYQIKIDXZRR-UHFFFAOYSA-N
XLogP3.12
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Disoxaril
CID 55717
Win 52035
CID 1786
Win 56590
CID 3082640
3-methyl-5-(7-(4-((4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy)heptyl)-1,2-oxazole
CID 5272139
5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
CID 5289566
3-Methyl-5-[5-[4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]pentyl]isoxazole
CID 1787
Isoxazole, 5-(7-(4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CID 1790
Compound III(S)
CID 441049
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-fluorophenoxy)pentyl)-3-methyl-
CID 5271222
Benzenamine, 5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)-
CID 5271224
5-[5-[4-(4,5-Dihydrooxazol-2-yl)-2,6-difluoro-phenoxy]pentyl]-3-methyl-isoxazole
CID 5271686
Isoxazole, 5-(6-(4-(4,5-dihydro-2-oxazolyl)phenoxy)hexyl)-3-methyl-
CID 5272156

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine (CID 79882774) is 1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cc(F)c(OCc2cc(C)on2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is QPYFYQIKIDXZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-3-11(18)5-10-6-13(16)15(14(17)7-10)20-8-12-4-9(2)21-19-12/h4,6-7,11H,3,5,8,18H2,1-2H3.
What are the key properties of 1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine?
1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 296.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 79882774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).