2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine

C12H19F2N3O — CID 118297283

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(CN)N2CCC(F)(F)CC2)o1
InChIInChI=1S/C12H19F2N3O/c1-8-11(18-9(2)16-8)10(7-15)17-5-3-12(13,14)4-6-17/h10H,3-7,15H2,1-2H3
InChIKeyQNGTZLSXYRXPJY-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.02
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine

2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine (PubChem CID 118297283) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine
PubChem CID118297283
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(CN)N2CCC(F)(F)CC2)o1
InChIInChI=1S/C12H19F2N3O/c1-8-11(18-9(2)16-8)10(7-15)17-5-3-12(13,14)4-6-17/h10H,3-7,15H2,1-2H3
InChIKeyQNGTZLSXYRXPJY-UHFFFAOYSA-N
XLogP2.02
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4H,5H,6H,7H-(1,3)oxazolo(4,5-c)pyridine hydrochloride
CID 74889760
2-Methyl-4,5,6,7-tetrahydro-oxazolo[4,5-C]pyridine
CID 53486463
2-(Trifluoromethyl)-4,5,6,7-tetrahydrooxazolo[4,5-C]pyridine
CID 55263329
2-Fluoro-4-methyl-4,5,6,7-tetrahydrooxazolo[4,5-c]pyridine
CID 67193755
4-Methyl-2-trifluoromethyl-4,5,6,7-tetrahydrooxazolo[4,5-c]pyridine
CID 67195172
4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 70258606
1-[1-[5-(Trifluoromethyl)-1,3-oxazol-4-yl]ethyl]piperidin-4-amine
CID 117721595
2-(4,4-Difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile
CID 118297242
2-(4,4-Difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
CID 118297302
N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 121293284
2-(4-Fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
CID 134404958
tert-butyl 2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate
CID 176233190

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine (CID 118297283) is 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine is Cc1nc(C)c(C(CN)N2CCC(F)(F)CC2)o1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine?
The InChIKey is QNGTZLSXYRXPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-8-11(18-9(2)16-8)10(7-15)17-5-3-12(13,14)4-6-17/h10H,3-7,15H2,1-2H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine has a molecular weight of 259.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine is sourced from PubChem (CID 118297283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).