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

C24H24NOP — CID 87601557

IUPAC[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane
SMILESCC(Cc1ccccc1P(c1ccccc1)c1ccccc1)C1=NCCO1
InChIInChI=1S/C24H24NOP/c1-19(24-25-16-17-26-24)18-20-10-8-9-15-23(20)27(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,19H,16-18H2,1H3
InChIKeyRTOMMZANENEJET-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.05
Rot. Bonds6

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

[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane (PubChem CID 87601557) has the molecular formula C24H24NOP and a molecular weight of 373.44 g/mol. Its IUPAC name is [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane
PubChem CID87601557
Molecular FormulaC24H24NOP
Molecular Weight373.44 g/mol
Exact Mass373.16
IUPAC Name[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane
SMILESCC(Cc1ccccc1P(c1ccccc1)c1ccccc1)C1=NCCO1
InChIInChI=1S/C24H24NOP/c1-19(24-25-16-17-26-24)18-20-10-8-9-15-23(20)27(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,19H,16-18H2,1H3
InChIKeyRTOMMZANENEJET-UHFFFAOYSA-N
XLogP4.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.05
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-Trityl-4,5-dihydrooxazole
CID 24799664
diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane
CID 89264372
2-[1-(3-Fluoro-4-phenylphenyl)ethyl]-4,5-dihydro-1,3-oxazole
CID 68148824
2-tert-Butyl-(4R)-(2-diphenylphosphanyl-phenyl)-4,5-dihydro-oxazole
CID 11222940
(S)-4-Isopropyl-2-phenethyl-4,5-dihydrooxazole
CID 13435839
(4S)-4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 57815561
(1R,2S,5S)-2-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1,2,5-triphenyl-1lambda5-phospholane 1-oxide
CID 11351247
(S)-4-(tert-Butyl)-2-(2-(diphenylphosphino)benzyl)-4,5-dihydrooxazole
CID 11384061
4,4-dimethyl-2-[[(1S,2S,5S)-1,2,5-triphenylphospholan-2-yl]methyl]-5H-1,3-oxazole
CID 21631367
(S)-2-(2-(2-(Diphenylphosphino)phenyl)propan-2-yl)-4-isopropyl-4,5-dihydrooxazole
CID 102473215
[2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane
CID 102521635
(S)-2-(2-(Diphenylphosphino)benzyl)-4-isopropyl-4,5-dihydrooxazole
CID 135006715

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane (CID 87601557) is [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane is CC(Cc1ccccc1P(c1ccccc1)c1ccccc1)C1=NCCO1.
What is the InChIKey of [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane?
The InChIKey is RTOMMZANENEJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24NOP/c1-19(24-25-16-17-26-24)18-20-10-8-9-15-23(20)27(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,19H,16-18H2,1H3.
What are the key properties of [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane?
[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane has a molecular weight of 373.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 87601557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).