1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine

C13H14F2N2O — CID 115579772

IUPAC1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
SMILESCc1noc(C)c1CNCc1cc(F)cc(F)c1
InChIInChI=1S/C13H14F2N2O/c1-8-13(9(2)18-17-8)7-16-6-10-3-11(14)5-12(15)4-10/h3-5,16H,6-7H2,1-2H3
InChIKeyYIWIJZOOQUJNOP-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.86
Rot. Bonds4

About 1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine

1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine (PubChem CID 115579772) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
PubChem CID115579772
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
SMILESCc1noc(C)c1CNCc1cc(F)cc(F)c1
InChIInChI=1S/C13H14F2N2O/c1-8-13(9(2)18-17-8)7-16-6-10-3-11(14)5-12(15)4-10/h3-5,16H,6-7H2,1-2H3
InChIKeyYIWIJZOOQUJNOP-UHFFFAOYSA-N
XLogP2.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437907
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 60961090
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol
CID 78975030
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluorobenzene-1,3-diamine
CID 79225193
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107422
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911385
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 112730010
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 115712429
2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol
CID 112607038
1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275502
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine (CID 115579772) is 1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine is Cc1noc(C)c1CNCc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine?
The InChIKey is YIWIJZOOQUJNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-8-13(9(2)18-17-8)7-16-6-10-3-11(14)5-12(15)4-10/h3-5,16H,6-7H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine?
1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine has a molecular weight of 252.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 115579772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).