4-methyl-2H-1,3-oxazol-2-ide;vanadium

C4H4NOV- — CID 58775058

IUPAC4-methyl-2H-1,3-oxazol-2-ide;vanadium
SMILESCc1co[c-]n1.[V]
InChIInChI=1S/C4H4NO.V/c1-4-2-6-3-5-4;/h2H,1H3;/q-1;
InChIKeyHPVWPGVLYXQLPX-UHFFFAOYSA-N
MW133.03 g/mol
LogP0.78
Rot. Bonds

About 4-methyl-2H-1,3-oxazol-2-ide;vanadium

4-methyl-2H-1,3-oxazol-2-ide;vanadium (PubChem CID 58775058) has the molecular formula C4H4NOV- and a molecular weight of 133.03 g/mol. Its IUPAC name is 4-methyl-2H-1,3-oxazol-2-ide;vanadium.

Molecular Properties

Compound Name4-methyl-2H-1,3-oxazol-2-ide;vanadium
PubChem CID58775058
Molecular FormulaC4H4NOV-
Molecular Weight133.03 g/mol
Exact Mass132.97
IUPAC Name4-methyl-2H-1,3-oxazol-2-ide;vanadium
SMILESCc1co[c-]n1.[V]
InChIInChI=1S/C4H4NO.V/c1-4-2-6-3-5-4;/h2H,1H3;/q-1;
InChIKeyHPVWPGVLYXQLPX-UHFFFAOYSA-N
XLogP0.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.03
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-1,3-oxazol-2-ide;vanadium?
The IUPAC name of 4-methyl-2H-1,3-oxazol-2-ide;vanadium (CID 58775058) is 4-methyl-2H-1,3-oxazol-2-ide;vanadium.
What is the SMILES notation for 4-methyl-2H-1,3-oxazol-2-ide;vanadium?
The canonical SMILES for 4-methyl-2H-1,3-oxazol-2-ide;vanadium is Cc1co[c-]n1.[V].
What is the InChIKey of 4-methyl-2H-1,3-oxazol-2-ide;vanadium?
The InChIKey is HPVWPGVLYXQLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NO.V/c1-4-2-6-3-5-4;/h2H,1H3;/q-1;.
What are the key properties of 4-methyl-2H-1,3-oxazol-2-ide;vanadium?
4-methyl-2H-1,3-oxazol-2-ide;vanadium has a molecular weight of 133.03 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-1,3-oxazol-2-ide;vanadium is sourced from PubChem (CID 58775058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).