[6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane

C23H23N2OP — CID 23249038

IUPAC[6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane
SMILESCCC1COC(c2cccc(CP(c3ccccc3)c3ccccc3)n2)=N1
InChIInChI=1S/C23H23N2OP/c1-2-18-16-26-23(25-18)22-15-9-10-19(24-22)17-27(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18H,2,16-17H2,1H3
InChIKeyZISAIBRPBSTRPQ-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.27
Rot. Bonds6

About [6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane

[6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane (PubChem CID 23249038) has the molecular formula C23H23N2OP and a molecular weight of 374.42 g/mol. Its IUPAC name is [6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane
PubChem CID23249038
Molecular FormulaC23H23N2OP
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name[6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane
SMILESCCC1COC(c2cccc(CP(c3ccccc3)c3ccccc3)n2)=N1
InChIInChI=1S/C23H23N2OP/c1-2-18-16-26-23(25-18)22-15-9-10-19(24-22)17-27(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18H,2,16-17H2,1H3
InChIKeyZISAIBRPBSTRPQ-UHFFFAOYSA-N
XLogP4.27
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-ethyl-2-[6-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 66556676
[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
CID 59863248
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 146013653
(4S)-4-ethyl-2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101098684
(4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101157322
iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride
CID 70014009
(2-ethylphenyl)-phenyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
CID 71085572
dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)
CID 58936995
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
2-[(4S)-2-(7-ethoxynaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane
CID 10766107
[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 127256029
4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole
CID 6618936

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane?
The IUPAC name of [6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane (CID 23249038) is [6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane.
What is the SMILES notation for [6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane?
The canonical SMILES for [6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane is CCC1COC(c2cccc(CP(c3ccccc3)c3ccccc3)n2)=N1.
What is the InChIKey of [6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane?
The InChIKey is ZISAIBRPBSTRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N2OP/c1-2-18-16-26-23(25-18)22-15-9-10-19(24-22)17-27(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18H,2,16-17H2,1H3.
What are the key properties of [6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane?
[6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane has a molecular weight of 374.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane is sourced from PubChem (CID 23249038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).