5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one

C8H10N2O3 — CID 130718592

IUPAC5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one
SMILESCC1CN(C(=O)c2cc(=O)[nH]o2)C1
InChIInChI=1S/C8H10N2O3/c1-5-3-10(4-5)8(12)6-2-7(11)9-13-6/h2,5H,3-4H2,1H3,(H,9,11)
InChIKeyPSFXHSFFGJNZGY-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.06
Rot. Bonds1

About 5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one

5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one (PubChem CID 130718592) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one
PubChem CID130718592
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one
SMILESCC1CN(C(=O)c2cc(=O)[nH]o2)C1
InChIInChI=1S/C8H10N2O3/c1-5-3-10(4-5)8(12)6-2-7(11)9-13-6/h2,5H,3-4H2,1H3,(H,9,11)
InChIKeyPSFXHSFFGJNZGY-UHFFFAOYSA-N
XLogP0.06
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-Fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one
CID 131102055
N-(3-methylbutyl)-3-oxo-1,2-oxazole-5-carboxamide
CID 57766085
N-(2-methylpropyl)-3-oxo-1,2-oxazole-5-carboxamide
CID 127009007
N-(2-methylbutyl)-3-oxo-1,2-oxazole-5-carboxamide
CID 174164673
N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 127000299
2-methyl-3-oxo-N-propyl-1,2-oxazole-5-carboxamide
CID 130688625
N-ethyl-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 130735090

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one (CID 130718592) is 5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one is CC1CN(C(=O)c2cc(=O)[nH]o2)C1.
What is the InChIKey of 5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one?
The InChIKey is PSFXHSFFGJNZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-3-10(4-5)8(12)6-2-7(11)9-13-6/h2,5H,3-4H2,1H3,(H,9,11).
What are the key properties of 5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one?
5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one has a molecular weight of 182.18 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylazetidine-1-carbonyl)-1,2-oxazol-3-one is sourced from PubChem (CID 130718592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).