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

C23H37ClNOP — CID 139973551

IUPACtributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane
SMILESCCCCP(Cl)(CCCC)(CCCC)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C23H37ClNOP/c1-5-8-16-27(24,17-9-6-2,18-10-7-3)19-22-20(4)26-23(25-22)21-14-12-11-13-15-21/h11-15H,5-10,16-19H2,1-4H3
InChIKeyVMEUJXKEYLLOBU-UHFFFAOYSA-N
MW409.98 g/mol
LogP8.26
Rot. Bonds12

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

tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane (PubChem CID 139973551) has the molecular formula C23H37ClNOP and a molecular weight of 409.98 g/mol. Its IUPAC name is tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane.

Molecular Properties

Compound Nametributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane
PubChem CID139973551
Molecular FormulaC23H37ClNOP
Molecular Weight409.98 g/mol
Exact Mass409.23
IUPAC Nametributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane
SMILESCCCCP(Cl)(CCCC)(CCCC)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C23H37ClNOP/c1-5-8-16-27(24,17-9-6-2,18-10-7-3)19-22-20(4)26-23(25-22)21-14-12-11-13-15-21/h11-15H,5-10,16-19H2,1-4H3
InChIKeyVMEUJXKEYLLOBU-UHFFFAOYSA-N
XLogP8.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.98
LogP ≤ 58.26
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

chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane
CID 140519078
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
4-(3-methoxyhept-4-ynyl)-5-methyl-2-phenyl-1,3-oxazole
CID 142811813
5-methyl-4-[(4-pentylsulfonylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole
CID 86936902
N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide
CID 57365509
ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 142936013
dibenzyl-chloro-diheptyl-λ5-phosphane
CID 140527552
4-(5-bromopentyl)-5-methyl-2-phenyl-1,3-oxazole;5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)pentan-1-ol
CID 159710828
4-heptadecyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
CID 175179508

Frequently Asked Questions

What is the IUPAC name of tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane?
The IUPAC name of tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane (CID 139973551) is tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane.
What is the SMILES notation for tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane?
The canonical SMILES for tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane is CCCCP(Cl)(CCCC)(CCCC)Cc1nc(-c2ccccc2)oc1C.
What is the InChIKey of tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane?
The InChIKey is VMEUJXKEYLLOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37ClNOP/c1-5-8-16-27(24,17-9-6-2,18-10-7-3)19-22-20(4)26-23(25-22)21-14-12-11-13-15-21/h11-15H,5-10,16-19H2,1-4H3.
What are the key properties of tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane?
tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane has a molecular weight of 409.98 g/mol, XLogP of 8.26, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-chloro-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-λ5-phosphane is sourced from PubChem (CID 139973551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).