1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea

C11H14FN5O2 — CID 166301604

IUPAC1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2cc(F)n(C)n2)no1
InChIInChI=1S/C11H14FN5O2/c1-6(2)7-4-10(16-19-7)14-11(18)13-9-5-8(12)17(3)15-9/h4-6H,1-3H3,(H2,13,14,15,16,18)
InChIKeyMHBMDZMZKYDXFC-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.31
Rot. Bonds3

About 1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea

1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea (PubChem CID 166301604) has the molecular formula C11H14FN5O2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
PubChem CID166301604
Molecular FormulaC11H14FN5O2
Molecular Weight267.26 g/mol
Exact Mass267.11
IUPAC Name1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2cc(F)n(C)n2)no1
InChIInChI=1S/C11H14FN5O2/c1-6(2)7-4-10(16-19-7)14-11(18)13-9-5-8(12)17(3)15-9/h4-6H,1-3H3,(H2,13,14,15,16,18)
InChIKeyMHBMDZMZKYDXFC-UHFFFAOYSA-N
XLogP2.31
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
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-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea (CID 166301604) is 1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea is CC(C)c1cc(NC(=O)Nc2cc(F)n(C)n2)no1.
What is the InChIKey of 1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The InChIKey is MHBMDZMZKYDXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O2/c1-6(2)7-4-10(16-19-7)14-11(18)13-9-5-8(12)17(3)15-9/h4-6H,1-3H3,(H2,13,14,15,16,18).
What are the key properties of 1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea has a molecular weight of 267.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 166301604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).