chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane

C30H27ClNOP — CID 140519078

IUPACchloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane
SMILESCc1ccc(-c2nc(CP(Cl)(c3ccccc3)(c3ccccc3)c3ccccc3)c(C)o2)cc1
InChIInChI=1S/C30H27ClNOP/c1-23-18-20-25(21-19-23)30-32-29(24(2)33-30)22-34(31,26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-21H,22H2,1-2H3
InChIKeyUDGWIUMZBSNQCL-UHFFFAOYSA-N
MW483.98 g/mol
LogP7.14
Rot. Bonds6

About chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane

chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane (PubChem CID 140519078) has the molecular formula C30H27ClNOP and a molecular weight of 483.98 g/mol. Its IUPAC name is chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane
PubChem CID140519078
Molecular FormulaC30H27ClNOP
Molecular Weight483.98 g/mol
Exact Mass483.15
IUPAC Namechloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane
SMILESCc1ccc(-c2nc(CP(Cl)(c3ccccc3)(c3ccccc3)c3ccccc3)c(C)o2)cc1
InChIInChI=1S/C30H27ClNOP/c1-23-18-20-25(21-19-23)30-32-29(24(2)33-30)22-34(31,26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-21H,22H2,1-2H3
InChIKeyUDGWIUMZBSNQCL-UHFFFAOYSA-N
XLogP7.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.98
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane
CID 139973551
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium
CID 24742720
ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 142936013
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium chloride
CID 24742719
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
4-(iodomethyl)-2-(4-methylphenyl)-5-phenyl-1,3-oxazole
CID 57434504
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 16588525
N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606
cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
CID 67366184

Frequently Asked Questions

What is the IUPAC name of chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane?
The IUPAC name of chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane (CID 140519078) is chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane is Cc1ccc(-c2nc(CP(Cl)(c3ccccc3)(c3ccccc3)c3ccccc3)c(C)o2)cc1.
What is the InChIKey of chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane?
The InChIKey is UDGWIUMZBSNQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClNOP/c1-23-18-20-25(21-19-23)30-32-29(24(2)33-30)22-34(31,26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-21H,22H2,1-2H3.
What are the key properties of chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane?
chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane has a molecular weight of 483.98 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 140519078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).