dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane

C12H16NOP — CID 59093598

IUPACdimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
SMILESC[C@H]1COC(c2ccccc2P(C)C)=N1
InChIInChI=1S/C12H16NOP/c1-9-8-14-12(13-9)10-6-4-5-7-11(10)15(2)3/h4-7,9H,8H2,1-3H3/t9-/m0/s1
InChIKeyUUSNGJLBKYJRLB-VIFPVBQESA-N
MW221.24 g/mol
LogP2.22
Rot. Bonds2

About dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane

dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane (PubChem CID 59093598) has the molecular formula C12H16NOP and a molecular weight of 221.24 g/mol. Its IUPAC name is dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.

Molecular Properties

Compound Namedimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
PubChem CID59093598
Molecular FormulaC12H16NOP
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Namedimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
SMILESC[C@H]1COC(c2ccccc2P(C)C)=N1
InChIInChI=1S/C12H16NOP/c1-9-8-14-12(13-9)10-6-4-5-7-11(10)15(2)3/h4-7,9H,8H2,1-3H3/t9-/m0/s1
InChIKeyUUSNGJLBKYJRLB-VIFPVBQESA-N
XLogP2.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.22
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

bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane
CID 102387210
(4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 102128598
[2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane
CID 90287042
4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol
CID 137264882
[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
[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
CID 59863248
(1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol
CID 11494541
diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium
CID 134992415
2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 22006286
(4S)-4-ethyl-2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101098684
[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 127256029
CID 11249313
CID 11249313

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The IUPAC name of dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane (CID 59093598) is dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.
What is the SMILES notation for dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The canonical SMILES for dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane is C[C@H]1COC(c2ccccc2P(C)C)=N1.
What is the InChIKey of dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The InChIKey is UUSNGJLBKYJRLB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16NOP/c1-9-8-14-12(13-9)10-6-4-5-7-11(10)15(2)3/h4-7,9H,8H2,1-3H3/t9-/m0/s1.
What are the key properties of dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane has a molecular weight of 221.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane is sourced from PubChem (CID 59093598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).