1-cyclopentyl-3-(1,2-oxazol-5-yl)urea

C9H13N3O2 — CID 108813960

IUPAC1-cyclopentyl-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccno1)NC1CCCC1
InChIInChI=1S/C9H13N3O2/c13-9(11-7-3-1-2-4-7)12-8-5-6-10-14-8/h5-7H,1-4H2,(H2,11,12,13)
InChIKeyLFWYFWGSUFPXJV-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.74
Rot. Bonds2

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

1-cyclopentyl-3-(1,2-oxazol-5-yl)urea (PubChem CID 108813960) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1,2-oxazol-5-yl)urea
PubChem CID108813960
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-cyclopentyl-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccno1)NC1CCCC1
InChIInChI=1S/C9H13N3O2/c13-9(11-7-3-1-2-4-7)12-8-5-6-10-14-8/h5-7H,1-4H2,(H2,11,12,13)
InChIKeyLFWYFWGSUFPXJV-UHFFFAOYSA-N
XLogP1.74
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(1,2-oxazol-5-yl)urea (CID 108813960) is 1-cyclopentyl-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1,2-oxazol-5-yl)urea is O=C(Nc1ccno1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1,2-oxazol-5-yl)urea?
The InChIKey is LFWYFWGSUFPXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(11-7-3-1-2-4-7)12-8-5-6-10-14-8/h5-7H,1-4H2,(H2,11,12,13).
What are the key properties of 1-cyclopentyl-3-(1,2-oxazol-5-yl)urea?
1-cyclopentyl-3-(1,2-oxazol-5-yl)urea has a molecular weight of 195.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108813960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).