4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane

C16H16NOP — CID 11400209

IUPAC4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane
SMILESc1ccc(P(CC2=NCCO2)c2ccccc2)cc1
InChIInChI=1S/C16H16NOP/c1-3-7-14(8-4-1)19(13-16-17-11-12-18-16)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyYWNAMTKCMKLTAP-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.55
Rot. Bonds4

About 4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane

4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane (PubChem CID 11400209) has the molecular formula C16H16NOP and a molecular weight of 269.28 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane
PubChem CID11400209
Molecular FormulaC16H16NOP
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane
SMILESc1ccc(P(CC2=NCCO2)c2ccccc2)cc1
InChIInChI=1S/C16H16NOP/c1-3-7-14(8-4-1)19(13-16-17-11-12-18-16)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyYWNAMTKCMKLTAP-UHFFFAOYSA-N
XLogP2.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane?
The IUPAC name of 4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane (CID 11400209) is 4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane.
What is the SMILES notation for 4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane?
The canonical SMILES for 4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane is c1ccc(P(CC2=NCCO2)c2ccccc2)cc1.
What is the InChIKey of 4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane?
The InChIKey is YWNAMTKCMKLTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NOP/c1-3-7-14(8-4-1)19(13-16-17-11-12-18-16)15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane?
4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane has a molecular weight of 269.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazol-2-ylmethyl(diphenyl)phosphane is sourced from PubChem (CID 11400209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).