azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole

C6H9F3N2O — CID 175578128

IUPACazane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C)c(C(F)(F)F)o1.N
InChIInChI=1S/C6H6F3NO.H3N/c1-3-5(6(7,8)9)11-4(2)10-3;/h1-2H3;1H3
InChIKeyLJJRPWGUAWOLPP-UHFFFAOYSA-N
MW182.14 g/mol
LogP2.47
Rot. Bonds

About azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole

azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 175578128) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Nameazane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID175578128
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Nameazane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C)c(C(F)(F)F)o1.N
InChIInChI=1S/C6H6F3NO.H3N/c1-3-5(6(7,8)9)11-4(2)10-3;/h1-2H3;1H3
InChIKeyLJJRPWGUAWOLPP-UHFFFAOYSA-N
XLogP2.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-Trimethyloxazole
CID 30215
2-Ethyl-4,5-dimethyloxazole
CID 62069
4,5-Dimethyl-2-propyloxazole
CID 104620
2-Isobutyl-4,5-dimethyloxazole
CID 574068
2-Isopropyl-4,5-dimethyloxazole
CID 29644
2-Butyl-4,5-dimethyloxazole
CID 522807
2-(Chloromethyl)-4,5-dimethyl-1,3-oxazole
CID 15176125
3-(4,5-Dimethyl-1,3-oxazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 486289
4-(Chloromethyl)-2,5-dimethyl-1,3-oxazole
CID 7537479
(4,5-Dimethyl-1,3-Oxazol-2-Yl)Methanamine
CID 28293489
(Dimethyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 118991322
4-(Bromomethyl)-2,5-dimethyloxazole
CID 121552302

Frequently Asked Questions

What is the IUPAC name of azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole (CID 175578128) is azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole is Cc1nc(C)c(C(F)(F)F)o1.N.
What is the InChIKey of azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is LJJRPWGUAWOLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO.H3N/c1-3-5(6(7,8)9)11-4(2)10-3;/h1-2H3;1H3.
What are the key properties of azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole?
azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 182.14 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 175578128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).