cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid

C9H13N3O3 — CID 71087370

IUPACcyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid
SMILESCc1nc(C(C)N(C(=O)O)C2CC2)no1
InChIInChI=1S/C9H13N3O3/c1-5(8-10-6(2)15-11-8)12(9(13)14)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,13,14)
InChIKeyOLSRRKPDPSXFLU-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.58
Rot. Bonds3

About cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid

cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid (PubChem CID 71087370) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid.

Molecular Properties

Compound Namecyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid
PubChem CID71087370
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namecyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid
SMILESCc1nc(C(C)N(C(=O)O)C2CC2)no1
InChIInChI=1S/C9H13N3O3/c1-5(8-10-6(2)15-11-8)12(9(13)14)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,13,14)
InChIKeyOLSRRKPDPSXFLU-UHFFFAOYSA-N
XLogP1.58
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid?
The IUPAC name of cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid (CID 71087370) is cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid.
What is the SMILES notation for cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid?
The canonical SMILES for cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid is Cc1nc(C(C)N(C(=O)O)C2CC2)no1.
What is the InChIKey of cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid?
The InChIKey is OLSRRKPDPSXFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5(8-10-6(2)15-11-8)12(9(13)14)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid?
cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid has a molecular weight of 211.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid is sourced from PubChem (CID 71087370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).