N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine

C10H12F6N2O2 — CID 103311186

IUPACN-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H12F6N2O2/c1-19-3-2-17-5-7-18-4-6(20-7)8(9(11,12)13)10(14,15)16/h4,8,17H,2-3,5H2,1H3
InChIKeySYNKPQLZWBUUTE-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.62
Rot. Bonds6

About N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine

N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 103311186) has the molecular formula C10H12F6N2O2 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID103311186
Molecular FormulaC10H12F6N2O2
Molecular Weight306.21 g/mol
Exact Mass306.08
IUPAC NameN-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H12F6N2O2/c1-19-3-2-17-5-7-18-4-6(20-7)8(9(11,12)13)10(14,15)16/h4,8,17H,2-3,5H2,1H3
InChIKeySYNKPQLZWBUUTE-UHFFFAOYSA-N
XLogP2.62
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
CID 71873201
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 54594018
(5-Ethyl-1,3-oxazol-2-yl)methanamine
CID 65180193
t-Butyl [2,2,2-trifluoro-1-(5-methyloxazol-2-yl)ethyl]-carbamate
CID 168475044
[(5-Cyclopropyl-1,3-oxazol-2-yl)methyl](methyl)amine
CID 65178506
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71756633
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide
CID 71983339
2-Tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole
CID 56987972
5-[1-(2,2,2-Trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide
CID 69354252
5-Propan-2-yl-2-(trifluoromethyl)-1,3-oxazole
CID 90398011
1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 143783901
5-But-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole
CID 144946183

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine (CID 103311186) is N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1ncc(C(C(F)(F)F)C(F)(F)F)o1.
What is the InChIKey of N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is SYNKPQLZWBUUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2O2/c1-19-3-2-17-5-7-18-4-6(20-7)8(9(11,12)13)10(14,15)16/h4,8,17H,2-3,5H2,1H3.
What are the key properties of N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 306.21 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 103311186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).