[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane

C21H18NOP — CID 15410205

IUPAC[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2C2=NCCO2)cc1
InChIInChI=1S/C21H18NOP/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-22-15-16-23-21/h1-14H,15-16H2
InChIKeyIGSBGZOKCVWVAP-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.22
Rot. Bonds4

About [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane

[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane (PubChem CID 15410205) has the molecular formula C21H18NOP and a molecular weight of 331.36 g/mol. Its IUPAC name is [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
PubChem CID15410205
Molecular FormulaC21H18NOP
Molecular Weight331.36 g/mol
Exact Mass331.11
IUPAC Name[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2C2=NCCO2)cc1
InChIInChI=1S/C21H18NOP/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-22-15-16-23-21/h1-14H,15-16H2
InChIKeyIGSBGZOKCVWVAP-UHFFFAOYSA-N
XLogP3.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.22
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

[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane
CID 143467946
[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 101172090
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole
CID 174622186
diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium
CID 134992415
[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
CID 59863248
[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
CID 101421164
[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 127256029
CID 11249313
CID 11249313
[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane
CID 87601557
(1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol
CID 11494541
[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
CID 176507761

Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane (CID 15410205) is [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccccc2C2=NCCO2)cc1.
What is the InChIKey of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane?
The InChIKey is IGSBGZOKCVWVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18NOP/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-22-15-16-23-21/h1-14H,15-16H2.
What are the key properties of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane?
[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane has a molecular weight of 331.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 15410205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).