3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one

C7H9N3O3 — CID 137225620

IUPAC3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one
SMILESCC1CN(C(=O)c2noc(=O)[nH]2)C1
InChIInChI=1S/C7H9N3O3/c1-4-2-10(3-4)6(11)5-8-7(12)13-9-5/h4H,2-3H2,1H3,(H,8,9,12)
InChIKeyPOTMBHUHMRAQBC-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.55
Rot. Bonds1

About 3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one

3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one (PubChem CID 137225620) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one
PubChem CID137225620
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one
SMILESCC1CN(C(=O)c2noc(=O)[nH]2)C1
InChIInChI=1S/C7H9N3O3/c1-4-2-10(3-4)6(11)5-8-7(12)13-9-5/h4H,2-3H2,1H3,(H,8,9,12)
InChIKeyPOTMBHUHMRAQBC-UHFFFAOYSA-N
XLogP-0.55
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one (CID 137225620) is 3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one is CC1CN(C(=O)c2noc(=O)[nH]2)C1.
What is the InChIKey of 3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one?
The InChIKey is POTMBHUHMRAQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4-2-10(3-4)6(11)5-8-7(12)13-9-5/h4H,2-3H2,1H3,(H,8,9,12).
What are the key properties of 3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one?
3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one has a molecular weight of 183.17 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 137225620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).