1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea

C17H19N5O4 — CID 118771328

IUPAC1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESO=C(NCCc1noc(C2CCCC2)n1)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C17H19N5O4/c23-16(19-11-5-6-12-13(9-11)25-17(24)20-12)18-8-7-14-21-15(26-22-14)10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,20,24)(H2,18,19,23)
InChIKeyYSEOAAYVWYCMIQ-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.53
Rot. Bonds5

About 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea

1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea (PubChem CID 118771328) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
PubChem CID118771328
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESO=C(NCCc1noc(C2CCCC2)n1)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C17H19N5O4/c23-16(19-11-5-6-12-13(9-11)25-17(24)20-12)18-8-7-14-21-15(26-22-14)10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,20,24)(H2,18,19,23)
InChIKeyYSEOAAYVWYCMIQ-UHFFFAOYSA-N
XLogP2.53
TPSA126.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea (CID 118771328) is 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea is O=C(NCCc1noc(C2CCCC2)n1)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The InChIKey is YSEOAAYVWYCMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c23-16(19-11-5-6-12-13(9-11)25-17(24)20-12)18-8-7-14-21-15(26-22-14)10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,20,24)(H2,18,19,23).
What are the key properties of 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea has a molecular weight of 357.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 118771328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).