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

C9H14F2N2O — CID 106370363

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine
SMILESCc1nc(CNC(C)C(F)F)oc1C
InChIInChI=1S/C9H14F2N2O/c1-5-7(3)14-8(13-5)4-12-6(2)9(10)11/h6,9,12H,4H2,1-3H3
InChIKeyAIKIWLZCJPHODM-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.03
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine (PubChem CID 106370363) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine
PubChem CID106370363
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine
SMILESCc1nc(CNC(C)C(F)F)oc1C
InChIInChI=1S/C9H14F2N2O/c1-5-7(3)14-8(13-5)4-12-6(2)9(10)11/h6,9,12H,4H2,1-3H3
InChIKeyAIKIWLZCJPHODM-UHFFFAOYSA-N
XLogP2.03
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid
CID 106372714
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine
CID 61469630
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol
CID 79248987
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
CID 106370529
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 106370395
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136811541
(4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide
CID 106371953
1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54965551
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine
CID 60972577
1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913139
1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 60972352

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine (CID 106370363) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine is Cc1nc(CNC(C)C(F)F)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine?
The InChIKey is AIKIWLZCJPHODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-5-7(3)14-8(13-5)4-12-6(2)9(10)11/h6,9,12H,4H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine has a molecular weight of 204.22 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine is sourced from PubChem (CID 106370363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).