4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole

C21H23N2O2P — CID 21179106

IUPAC4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole
SMILESCc1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCCCC2)o1
InChIInChI=1S/C21H23N2O2P/c1-17-22-20(21(25-17)23-15-9-4-10-16-23)26(24,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3
InChIKeyDRDKZPWBRVACIT-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.61
Rot. Bonds4

About 4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole

4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole (PubChem CID 21179106) has the molecular formula C21H23N2O2P and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole
PubChem CID21179106
Molecular FormulaC21H23N2O2P
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole
SMILESCc1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCCCC2)o1
InChIInChI=1S/C21H23N2O2P/c1-17-22-20(21(25-17)23-15-9-4-10-16-23)26(24,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3
InChIKeyDRDKZPWBRVACIT-UHFFFAOYSA-N
XLogP3.61
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole
CID 3885184
4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine
CID 5133492
4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine
CID 21179105
4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole
CID 101350621
2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 126814286
(2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide
CID 45046577
4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
CID 18824739
2-methyl-4-piperidin-1-ylfuro[2,3-c]quinoline
CID 13466195
4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole
CID 4511912
5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 26289707
triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium
CID 4064702
5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 129303200

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole?
The IUPAC name of 4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole (CID 21179106) is 4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole.
What is the SMILES notation for 4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole?
The canonical SMILES for 4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole is Cc1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCCCC2)o1.
What is the InChIKey of 4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole?
The InChIKey is DRDKZPWBRVACIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N2O2P/c1-17-22-20(21(25-17)23-15-9-4-10-16-23)26(24,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3.
What are the key properties of 4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole?
4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole has a molecular weight of 366.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole is sourced from PubChem (CID 21179106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).