(3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane

C23H20NOP — CID 71335230

IUPAC(3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane
SMILESCc1cc(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)on1
InChIInChI=1S/C23H20NOP/c1-19-17-20(25-24-19)18-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18H,1H3
InChIKeyCJNCJYPRHBCQNH-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.13
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane

(3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane (PubChem CID 71335230) has the molecular formula C23H20NOP and a molecular weight of 357.39 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane
PubChem CID71335230
Molecular FormulaC23H20NOP
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane
SMILESCc1cc(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)on1
InChIInChI=1S/C23H20NOP/c1-19-17-20(25-24-19)18-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18H,1H3
InChIKeyCJNCJYPRHBCQNH-UHFFFAOYSA-N
XLogP4.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane (CID 71335230) is (3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane is Cc1cc(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane?
The InChIKey is CJNCJYPRHBCQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20NOP/c1-19-17-20(25-24-19)18-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18H,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane?
(3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane has a molecular weight of 357.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methylidene-triphenyl-λ5-phosphane is sourced from PubChem (CID 71335230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).