CID 11249313

C26H21NOP — CID 11249313

IUPAC—
SMILES[CH]1[CH][CH][C]([C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)[CH]1
InChIInChI=1S/C26H21NOP/c1-3-13-21(14-4-1)29(22-15-5-2-6-16-22)25-18-10-9-17-23(25)26-27-24(19-28-26)20-11-7-8-12-20/h1-18,24H,19H2/t24-/m1/s1
InChIKeyQXUHPDSKTDUDET-XMMPIXPASA-N
MW394.43 g/mol
LogP4.00
Rot. Bonds5

About CID 11249313

CID 11249313 (PubChem CID 11249313) has the molecular formula C26H21NOP and a molecular weight of 394.43 g/mol.

Molecular Properties

Compound NameCID 11249313
PubChem CID11249313
Molecular FormulaC26H21NOP
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name—
SMILES[CH]1[CH][CH][C]([C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)[CH]1
InChIInChI=1S/C26H21NOP/c1-3-13-21(14-4-1)29(22-15-5-2-6-16-22)25-18-10-9-17-23(25)26-27-24(19-28-26)20-11-7-8-12-20/h1-18,24H,19H2/t24-/m1/s1
InChIKeyQXUHPDSKTDUDET-XMMPIXPASA-N
XLogP4.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.00
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

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)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 127256029
(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
[2-[(4S)-4-(1-adamantyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 58626935
bis[2-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
CID 155891829
dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane
CID 11040094
[2-[(4S)-4-(naphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 58626967
[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
CID 15410205
diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
CID 170897364
[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane
CID 143467946

Frequently Asked Questions

What is the IUPAC name of CID 11249313?
The IUPAC name of CID 11249313 (CID 11249313) is not available.
What is the SMILES notation for CID 11249313?
The canonical SMILES for CID 11249313 is [CH]1[CH][CH][C]([C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)[CH]1.
What is the InChIKey of CID 11249313?
The InChIKey is QXUHPDSKTDUDET-XMMPIXPASA-N. The full InChI is InChI=1S/C26H21NOP/c1-3-13-21(14-4-1)29(22-15-5-2-6-16-22)25-18-10-9-17-23(25)26-27-24(19-28-26)20-11-7-8-12-20/h1-18,24H,19H2/t24-/m1/s1.
What are the key properties of CID 11249313?
CID 11249313 has a molecular weight of 394.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11249313 is sourced from PubChem (CID 11249313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).