6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine

C10H15F3N2O — CID 106415669

IUPAC6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCc1ccno1
InChIInChI=1S/C10H15F3N2O/c1-8(3-2-5-10(11,12)13)14-7-9-4-6-15-16-9/h4,6,8,14H,2-3,5,7H2,1H3
InChIKeyMAHAWNMQZBNORU-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.89
Rot. Bonds6

About 6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine

6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine (PubChem CID 106415669) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine
PubChem CID106415669
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCc1ccno1
InChIInChI=1S/C10H15F3N2O/c1-8(3-2-5-10(11,12)13)14-7-9-4-6-15-16-9/h4,6,8,14H,2-3,5,7H2,1H3
InChIKeyMAHAWNMQZBNORU-UHFFFAOYSA-N
XLogP2.89
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)cyclooctanamine
CID 103604816
2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600349
5-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 71986501
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 103616141
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
1-(1,2-Oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103951484
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 104600393
N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104934265
1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 106414984
N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 106415094
N-(1,2-oxazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106415508

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine (CID 106415669) is 6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine is CC(CCCC(F)(F)F)NCc1ccno1.
What is the InChIKey of 6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine?
The InChIKey is MAHAWNMQZBNORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-8(3-2-5-10(11,12)13)14-7-9-4-6-15-16-9/h4,6,8,14H,2-3,5,7H2,1H3.
What are the key properties of 6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine?
6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine has a molecular weight of 236.24 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine is sourced from PubChem (CID 106415669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).