1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea

C7H10FN3O2 — CID 130678704

IUPAC1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCCF)o1
InChIInChI=1S/C7H10FN3O2/c1-5-4-10-7(13-5)11-6(12)9-3-2-8/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyXFXPFEHDYQGPIG-UHFFFAOYSA-N
MW187.17 g/mol
LogP1.07
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea

1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea (PubChem CID 130678704) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea
PubChem CID130678704
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCCF)o1
InChIInChI=1S/C7H10FN3O2/c1-5-4-10-7(13-5)11-6(12)9-3-2-8/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyXFXPFEHDYQGPIG-UHFFFAOYSA-N
XLogP1.07
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea (CID 130678704) is 1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea is Cc1cnc(NC(=O)NCCF)o1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea?
The InChIKey is XFXPFEHDYQGPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c1-5-4-10-7(13-5)11-6(12)9-3-2-8/h4H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea?
1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea has a molecular weight of 187.17 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(5-methyl-1,3-oxazol-2-yl)urea is sourced from PubChem (CID 130678704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).