1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea

C16H20N4O4 — CID 52906585

IUPAC1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
SMILESCOc1ccc(OC)c(-c2nnc(NC(=O)NC3CCCC3)o2)c1
InChIInChI=1S/C16H20N4O4/c1-22-11-7-8-13(23-2)12(9-11)14-19-20-16(24-14)18-15(21)17-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H2,17,18,20,21)
InChIKeyRXRLLJALGLEYFL-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.82
Rot. Bonds5

About 1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea

1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea (PubChem CID 52906585) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
PubChem CID52906585
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
SMILESCOc1ccc(OC)c(-c2nnc(NC(=O)NC3CCCC3)o2)c1
InChIInChI=1S/C16H20N4O4/c1-22-11-7-8-13(23-2)12(9-11)14-19-20-16(24-14)18-15(21)17-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H2,17,18,20,21)
InChIKeyRXRLLJALGLEYFL-UHFFFAOYSA-N
XLogP2.82
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea (CID 52906585) is 1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea is COc1ccc(OC)c(-c2nnc(NC(=O)NC3CCCC3)o2)c1.
What is the InChIKey of 1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The InChIKey is RXRLLJALGLEYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-22-11-7-8-13(23-2)12(9-11)14-19-20-16(24-14)18-15(21)17-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea has a molecular weight of 332.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea is sourced from PubChem (CID 52906585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).