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

C11H17F2N3O — CID 118297302

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
SMILESCc1ncoc1C(CN)N1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2N3O/c1-8-10(17-7-15-8)9(6-14)16-4-2-11(12,13)3-5-16/h7,9H,2-6,14H2,1H3
InChIKeyIGDHHWMOLGHHQV-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.71
Rot. Bonds3

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

2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine (PubChem CID 118297302) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
PubChem CID118297302
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
SMILESCc1ncoc1C(CN)N1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2N3O/c1-8-10(17-7-15-8)9(6-14)16-4-2-11(12,13)3-5-16/h7,9H,2-6,14H2,1H3
InChIKeyIGDHHWMOLGHHQV-UHFFFAOYSA-N
XLogP1.71
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6,7-Tetrahydrooxazolo(4,5-c)pyridine
CID 55263451
4H,5H,6H,7H-(1,3)oxazolo(4,5-c)pyridine; trifluoroacetic acid
CID 131701348
1-(5-Ethyl-1,3-oxazol-4-yl)methanamine hydrochloride
CID 170912231
2-[2-[2-[4-(Trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine
CID 20567603
1-[1-[5-(Trifluoromethyl)-1,3-oxazol-4-yl]ethyl]piperidin-4-amine
CID 117721595
2-(4,4-Difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile
CID 118297276
2-(4,4-Difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine
CID 118297283
2-(4-Fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
CID 134404958
N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 166789291
4-(Piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 170071709
[5-(2,2,2-Trifluoroethyl)-1,3-oxazol-4-yl]methanamine
CID 79139048
[5-(3,3,3-Trifluoropropyl)-1,3-oxazol-4-yl]methanamine
CID 79139056

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine (CID 118297302) is 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine is Cc1ncoc1C(CN)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine?
The InChIKey is IGDHHWMOLGHHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-8-10(17-7-15-8)9(6-14)16-4-2-11(12,13)3-5-16/h7,9H,2-6,14H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine has a molecular weight of 245.27 g/mol, XLogP of 1.71, 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-(4-methyl-1,3-oxazol-5-yl)ethanamine is sourced from PubChem (CID 118297302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).