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

C10H9N3O3 — CID 86657865

IUPACphenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate
SMILESCc1nnc(NC(=O)Oc2ccccc2)o1
InChIInChI=1S/C10H9N3O3/c1-7-12-13-9(15-7)11-10(14)16-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKeyAFHTZPSEJVSXGV-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.99
Rot. Bonds2

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

phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate (PubChem CID 86657865) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate
PubChem CID86657865
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Namephenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate
SMILESCc1nnc(NC(=O)Oc2ccccc2)o1
InChIInChI=1S/C10H9N3O3/c1-7-12-13-9(15-7)11-10(14)16-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKeyAFHTZPSEJVSXGV-UHFFFAOYSA-N
XLogP1.99
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate (CID 86657865) is phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate is Cc1nnc(NC(=O)Oc2ccccc2)o1.
What is the InChIKey of phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate?
The InChIKey is AFHTZPSEJVSXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-7-12-13-9(15-7)11-10(14)16-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14).
What are the key properties of phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate?
phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate has a molecular weight of 219.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate is sourced from PubChem (CID 86657865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).