2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol

C10H16F2N2O2 — CID 107485170

IUPAC2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
SMILESCc1nc(CN(CCO)CC(F)F)oc1C
InChIInChI=1S/C10H16F2N2O2/c1-7-8(2)16-10(13-7)6-14(3-4-15)5-9(11)12/h9,15H,3-6H2,1-2H3
InChIKeyBWZFFECOANKIDM-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.35
Rot. Bonds6

About 2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol

2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol (PubChem CID 107485170) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
PubChem CID107485170
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
SMILESCc1nc(CN(CCO)CC(F)F)oc1C
InChIInChI=1S/C10H16F2N2O2/c1-7-8(2)16-10(13-7)6-14(3-4-15)5-9(11)12/h9,15H,3-6H2,1-2H3
InChIKeyBWZFFECOANKIDM-UHFFFAOYSA-N
XLogP1.35
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol with MolForge

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Related Compounds

1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47360646
1-[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 53594865
2-Ethyl-4-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 91349681
2,5-Dimethyl-4-(trifluoromethyl)-1,3-oxazole;ethane
CID 142085256
2,4-Dimethyl-5-(trifluoromethyl)-1,3-oxazole;ethane
CID 144000826
2,4-Dimethyl-5-(trifluoromethyl)-1,3-oxazole;ethane
CID 144000891
2-Ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 163982387
2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
CID 170133718
1-[4-(Difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol
CID 170133729
2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylpropan-2-amine
CID 170144644
4-(Difluoromethyl)-2-(2-fluoropropan-2-yl)-5-methyl-1,3-oxazole
CID 170193146
Azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole
CID 175578128

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol (CID 107485170) is 2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol is Cc1nc(CN(CCO)CC(F)F)oc1C.
What is the InChIKey of 2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol?
The InChIKey is BWZFFECOANKIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c1-7-8(2)16-10(13-7)6-14(3-4-15)5-9(11)12/h9,15H,3-6H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol has a molecular weight of 234.25 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 107485170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).