methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid

C10H12NO3P — CID 3079447

IUPACmethyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
SMILESCP(=O)(O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H12NO3P/c1-15(12,13)10-7-9(11-14-10)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,12,13)
InChIKeyKXVRBUHBSWIKEN-UHFFFAOYSA-N
MW225.18 g/mol
LogP2.04
Rot. Bonds2

About methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid

methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid (PubChem CID 3079447) has the molecular formula C10H12NO3P and a molecular weight of 225.18 g/mol. Its IUPAC name is methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid.

Molecular Properties

Compound Namemethyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
PubChem CID3079447
Molecular FormulaC10H12NO3P
Molecular Weight225.18 g/mol
Exact Mass225.06
IUPAC Namemethyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
SMILESCP(=O)(O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H12NO3P/c1-15(12,13)10-7-9(11-14-10)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,12,13)
InChIKeyKXVRBUHBSWIKEN-UHFFFAOYSA-N
XLogP2.04
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-Phenyl-2-isoxazoline-5-yl)phosphonic acid
CID 171639
Dimethyl (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonate
CID 209825
N,N,N',N'-Tetramethyl-P-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic diamide
CID 209826
Phosphonic acid, ((4,5-dihydro-3-phenyl-5-isoxazolyl)methyl)-
CID 3045053
Phosphinic acid, (4,5-dihydro-3-phenyl-5-isoxazolyl)methyl-, methyl ester
CID 3079420
Isoxazole, 5-(dimethylphosphinyl)-4,5-dihydro-3-phenyl-
CID 3079421
Ethyl hydrogen (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonate
CID 3079422
Phosphinic acid, (4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methyl-
CID 3079425
(3-Benzyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
CID 3079439
Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester
CID 3079449
Phosphinic acid, (4,5-dihydro-3-(phenylmethyl)-5-isoxazolyl)methyl-, ammonium salt
CID 3079423
(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid--ammonia (1/2)
CID 3079427

Frequently Asked Questions

What is the IUPAC name of methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid?
The IUPAC name of methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid (CID 3079447) is methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid.
What is the SMILES notation for methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid?
The canonical SMILES for methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid is CP(=O)(O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid?
The InChIKey is KXVRBUHBSWIKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO3P/c1-15(12,13)10-7-9(11-14-10)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,12,13).
What are the key properties of methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid?
methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid has a molecular weight of 225.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid is sourced from PubChem (CID 3079447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).