azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole

C5H7F3N2O — CID 175578043

IUPACazane;4-methyl-3-(trifluoromethyl)-1,2-oxazole
SMILESCc1conc1C(F)(F)F.N
InChIInChI=1S/C5H4F3NO.H3N/c1-3-2-10-9-4(3)5(6,7)8;/h2H,1H3;1H3
InChIKeyZNVVURJVNXGTAP-UHFFFAOYSA-N
MW168.12 g/mol
LogP2.16
Rot. Bonds

About azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole

azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 175578043) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Nameazane;4-methyl-3-(trifluoromethyl)-1,2-oxazole
PubChem CID175578043
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Nameazane;4-methyl-3-(trifluoromethyl)-1,2-oxazole
SMILESCc1conc1C(F)(F)F.N
InChIInChI=1S/C5H4F3NO.H3N/c1-3-2-10-9-4(3)5(6,7)8;/h2H,1H3;1H3
InChIKeyZNVVURJVNXGTAP-UHFFFAOYSA-N
XLogP2.16
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole (CID 175578043) is azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole is Cc1conc1C(F)(F)F.N.
What is the InChIKey of azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is ZNVVURJVNXGTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO.H3N/c1-3-2-10-9-4(3)5(6,7)8;/h2H,1H3;1H3.
What are the key properties of azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole?
azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 168.12 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-methyl-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 175578043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).