1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea

C12H14F3N5O2 — CID 146138642

IUPAC1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
SMILESCCc1cc(NC(=O)NCc2cc(C(F)(F)F)nn2C)no1
InChIInChI=1S/C12H14F3N5O2/c1-3-8-5-10(19-22-8)17-11(21)16-6-7-4-9(12(13,14)15)18-20(7)2/h4-5H,3,6H2,1-2H3,(H2,16,17,19,21)
InChIKeyXVFCCYAUUWLSFT-UHFFFAOYSA-N
MW317.27 g/mol
LogP2.31
Rot. Bonds4

About 1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea

1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea (PubChem CID 146138642) has the molecular formula C12H14F3N5O2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
PubChem CID146138642
Molecular FormulaC12H14F3N5O2
Molecular Weight317.27 g/mol
Exact Mass317.11
IUPAC Name1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
SMILESCCc1cc(NC(=O)NCc2cc(C(F)(F)F)nn2C)no1
InChIInChI=1S/C12H14F3N5O2/c1-3-8-5-10(19-22-8)17-11(21)16-6-7-4-9(12(13,14)15)18-20(7)2/h4-5H,3,6H2,1-2H3,(H2,16,17,19,21)
InChIKeyXVFCCYAUUWLSFT-UHFFFAOYSA-N
XLogP2.31
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?
The IUPAC name of 1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea (CID 146138642) is 1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?
The canonical SMILES for 1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea is CCc1cc(NC(=O)NCc2cc(C(F)(F)F)nn2C)no1.
What is the InChIKey of 1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?
The InChIKey is XVFCCYAUUWLSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O2/c1-3-8-5-10(19-22-8)17-11(21)16-6-7-4-9(12(13,14)15)18-20(7)2/h4-5H,3,6H2,1-2H3,(H2,16,17,19,21).
What are the key properties of 1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?
1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea has a molecular weight of 317.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2-oxazol-3-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea is sourced from PubChem (CID 146138642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).