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

C12H12F2N2O — CID 103275502

IUPAC1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cc(F)cc(F)c2)o1
InChIInChI=1S/C12H12F2N2O/c1-8-5-16-12(17-8)7-15-6-9-2-10(13)4-11(14)3-9/h2-5,15H,6-7H2,1H3
InChIKeyHHPAJPGJLJLKND-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.55
Rot. Bonds4

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

1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103275502) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103275502
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cc(F)cc(F)c2)o1
InChIInChI=1S/C12H12F2N2O/c1-8-5-16-12(17-8)7-15-6-9-2-10(13)4-11(14)3-9/h2-5,15H,6-7H2,1H3
InChIKeyHHPAJPGJLJLKND-UHFFFAOYSA-N
XLogP2.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 113252144
1-(5-bromo-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275561
1-(furan-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275486
4-fluoro-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 106372344
4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 113252142
1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096833
3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 84587908
1-(4-methyl-3-nitrophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275436
3-fluoro-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 103275490
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
6-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-benzodioxol-5-ol
CID 103275682

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103275502) is 1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1cnc(CNCc2cc(F)cc(F)c2)o1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is HHPAJPGJLJLKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-8-5-16-12(17-8)7-15-6-9-2-10(13)4-11(14)3-9/h2-5,15H,6-7H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 238.24 g/mol, XLogP of 2.55, 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-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103275502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).