cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate

C9H13N3O3 — CID 4558884

IUPACcyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate
SMILESCc1nonc1NC(=O)OC1CCCC1
InChIInChI=1S/C9H13N3O3/c1-6-8(12-15-11-6)10-9(13)14-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,10,12,13)
InChIKeyDHKASXDMPLSWEC-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.87
Rot. Bonds2

About cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate

cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate (PubChem CID 4558884) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate.

Molecular Properties

Compound Namecyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate
PubChem CID4558884
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namecyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate
SMILESCc1nonc1NC(=O)OC1CCCC1
InChIInChI=1S/C9H13N3O3/c1-6-8(12-15-11-6)10-9(13)14-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,10,12,13)
InChIKeyDHKASXDMPLSWEC-UHFFFAOYSA-N
XLogP1.87
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate?
The IUPAC name of cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate (CID 4558884) is cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate.
What is the SMILES notation for cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate?
The canonical SMILES for cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate is Cc1nonc1NC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate?
The InChIKey is DHKASXDMPLSWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-8(12-15-11-6)10-9(13)14-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,10,12,13).
What are the key properties of cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate?
cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate has a molecular weight of 211.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate is sourced from PubChem (CID 4558884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).