(3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate

C4H4N4O4 — CID 175582337

IUPAC(3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate
SMILESNC(=O)Oc1nc(C(N)=O)no1
InChIInChI=1S/C4H4N4O4/c5-1(9)2-7-4(12-8-2)11-3(6)10/h(H2,5,9)(H2,6,10)
InChIKeyBHJWNOCBVAVWQQ-UHFFFAOYSA-N
MW172.10 g/mol
LogP-1.37
Rot. Bonds2

About (3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate

(3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate (PubChem CID 175582337) has the molecular formula C4H4N4O4 and a molecular weight of 172.10 g/mol. Its IUPAC name is (3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate.

Molecular Properties

Compound Name(3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate
PubChem CID175582337
Molecular FormulaC4H4N4O4
Molecular Weight172.10 g/mol
Exact Mass172.02
IUPAC Name(3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate
SMILESNC(=O)Oc1nc(C(N)=O)no1
InChIInChI=1S/C4H4N4O4/c5-1(9)2-7-4(12-8-2)11-3(6)10/h(H2,5,9)(H2,6,10)
InChIKeyBHJWNOCBVAVWQQ-UHFFFAOYSA-N
XLogP-1.37
TPSA134.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-carbamoyl-1,2,4-oxadiazol-5-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 (3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate?
The IUPAC name of (3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate (CID 175582337) is (3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate.
What is the SMILES notation for (3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate?
The canonical SMILES for (3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate is NC(=O)Oc1nc(C(N)=O)no1.
What is the InChIKey of (3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate?
The InChIKey is BHJWNOCBVAVWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O4/c5-1(9)2-7-4(12-8-2)11-3(6)10/h(H2,5,9)(H2,6,10).
What are the key properties of (3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate?
(3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate has a molecular weight of 172.10 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-1,2,4-oxadiazol-5-yl) carbamate is sourced from PubChem (CID 175582337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).