2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone

C6H5N3O2 — CID 137167594

IUPAC2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone
SMILESCc1ocnc1C(=O)C=[N+]=[N-]
InChIInChI=1S/C6H5N3O2/c1-4-6(8-3-11-4)5(10)2-9-7/h2-3H,1H3
InChIKeyTUUCBDQDNDNGPI-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.47
Rot. Bonds2

About 2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone

2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone (PubChem CID 137167594) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone
PubChem CID137167594
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone
SMILESCc1ocnc1C(=O)C=[N+]=[N-]
InChIInChI=1S/C6H5N3O2/c1-4-6(8-3-11-4)5(10)2-9-7/h2-3H,1H3
InChIKeyTUUCBDQDNDNGPI-UHFFFAOYSA-N
XLogP0.47
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Oxazole, 4-ethyl-5-methyl
CID 529031
1-(5-Methyloxazol-4-yl)ethanone
CID 58221331
2-Imino-1-[5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
CID 130388810
2-Diazo-1-(5-(trifluoromethyl)oxazol-4-yl)ethan-1-one
CID 131748337
1-[5-(Trifluoromethyl)-1,3-oxazol-4-yl]prop-2-en-1-one
CID 138508038
2-Diazo-1-(4-methyl-1,3-oxazol-5-yl)ethanone
CID 85527392
2-Bromo-1-(5-methyl-1,3-oxazol-4-yl)ethanone
CID 53827004
5-Ethyl-1,3-oxazole-4-carbaldehyde
CID 55296960
2-Methyl-1-(5-methyl-1,3-oxazol-4-yl)propan-1-one
CID 168114170
1-(2-Chloro-5-methyl-1,3-oxazol-4-yl)ethanone
CID 84650973
1-(2-Bromo-5-methyl-1,3-oxazol-4-yl)ethanone
CID 84671983
1-(5-Acetyl-1,3-oxazol-4-yl)ethanone
CID 119084025

Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone (CID 137167594) is 2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone is Cc1ocnc1C(=O)C=[N+]=[N-].
What is the InChIKey of 2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is TUUCBDQDNDNGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-4-6(8-3-11-4)5(10)2-9-7/h2-3H,1H3.
What are the key properties of 2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone?
2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 151.12 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 137167594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).