1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea

C8H10F3N3O2 — CID 116656456

IUPAC1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1noc(NC(=O)NCC(F)(F)F)c1C
InChIInChI=1S/C8H10F3N3O2/c1-4-5(2)14-16-6(4)13-7(15)12-3-8(9,10)11/h3H2,1-2H3,(H2,12,13,15)
InChIKeyRIMYETAJCTZKBH-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.98
Rot. Bonds2

About 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea

1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 116656456) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID116656456
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1noc(NC(=O)NCC(F)(F)F)c1C
InChIInChI=1S/C8H10F3N3O2/c1-4-5(2)14-16-6(4)13-7(15)12-3-8(9,10)11/h3H2,1-2H3,(H2,12,13,15)
InChIKeyRIMYETAJCTZKBH-UHFFFAOYSA-N
XLogP1.98
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea (CID 116656456) is 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea is Cc1noc(NC(=O)NCC(F)(F)F)c1C.
What is the InChIKey of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is RIMYETAJCTZKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-4-5(2)14-16-6(4)13-7(15)12-3-8(9,10)11/h3H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 237.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116656456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).