4-arsoroso-5-methyl-3-propyl-1,2-oxazole

C7H10AsNO2 — CID 59067329

IUPAC4-arsoroso-5-methyl-3-propyl-1,2-oxazole
SMILESCCCc1noc(C)c1[As]=O
InChIInChI=1S/C7H10AsNO2/c1-3-4-6-7(8-10)5(2)11-9-6/h3-4H2,1-2H3
InChIKeySBFRPTUDYYDQDG-UHFFFAOYSA-N
MW215.08 g/mol
LogP0.61
Rot. Bonds3

About 4-arsoroso-5-methyl-3-propyl-1,2-oxazole

4-arsoroso-5-methyl-3-propyl-1,2-oxazole (PubChem CID 59067329) has the molecular formula C7H10AsNO2 and a molecular weight of 215.08 g/mol. Its IUPAC name is 4-arsoroso-5-methyl-3-propyl-1,2-oxazole.

Molecular Properties

Compound Name4-arsoroso-5-methyl-3-propyl-1,2-oxazole
PubChem CID59067329
Molecular FormulaC7H10AsNO2
Molecular Weight215.08 g/mol
Exact Mass214.99
IUPAC Name4-arsoroso-5-methyl-3-propyl-1,2-oxazole
SMILESCCCc1noc(C)c1[As]=O
InChIInChI=1S/C7H10AsNO2/c1-3-4-6-7(8-10)5(2)11-9-6/h3-4H2,1-2H3
InChIKeySBFRPTUDYYDQDG-UHFFFAOYSA-N
XLogP0.61
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
CID 66643541
3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoic acid
CID 4621886
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
CID 66643513
3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine
CID 84647040
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
3-propyl-1,2-oxazole-4,5-diamine
CID 69334662
N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide
CID 170582724
3-iodo-5-methyl-4-propyl-1,2-oxazole
CID 67762380
3,4-diethyl-5-methyl-1,2-oxazole
CID 59688885
butane;ethane;3,4,5-trimethyl-1,2-oxazole
CID 142187309
3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium
CID 159279107
3-propyl-1,2-oxazole-5-carboxamide
CID 45117964

Frequently Asked Questions

What is the IUPAC name of 4-arsoroso-5-methyl-3-propyl-1,2-oxazole?
The IUPAC name of 4-arsoroso-5-methyl-3-propyl-1,2-oxazole (CID 59067329) is 4-arsoroso-5-methyl-3-propyl-1,2-oxazole.
What is the SMILES notation for 4-arsoroso-5-methyl-3-propyl-1,2-oxazole?
The canonical SMILES for 4-arsoroso-5-methyl-3-propyl-1,2-oxazole is CCCc1noc(C)c1[As]=O.
What is the InChIKey of 4-arsoroso-5-methyl-3-propyl-1,2-oxazole?
The InChIKey is SBFRPTUDYYDQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10AsNO2/c1-3-4-6-7(8-10)5(2)11-9-6/h3-4H2,1-2H3.
What are the key properties of 4-arsoroso-5-methyl-3-propyl-1,2-oxazole?
4-arsoroso-5-methyl-3-propyl-1,2-oxazole has a molecular weight of 215.08 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-arsoroso-5-methyl-3-propyl-1,2-oxazole is sourced from PubChem (CID 59067329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).