[(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole

C24H28NOP — CID 175003058

IUPAC[(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole
SMILESC1=CCC(P[C@@H]2C=CC=CC2)C=C1.CC(C)c1coc(-c2ccccc2)n1
InChIInChI=1S/C12H13NO.C12H15P/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-9H,1-2H3;1-7,9,11-13H,8,10H2/t;11-,12?/m.1/s1
InChIKeyATWLNXVWPCUAPS-XEVVMFMOSA-N
MW377.47 g/mol
LogP6.90
Rot. Bonds4

About [(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole

[(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole (PubChem CID 175003058) has the molecular formula C24H28NOP and a molecular weight of 377.47 g/mol. Its IUPAC name is [(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name[(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole
PubChem CID175003058
Molecular FormulaC24H28NOP
Molecular Weight377.47 g/mol
Exact Mass377.19
IUPAC Name[(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole
SMILESC1=CCC(P[C@@H]2C=CC=CC2)C=C1.CC(C)c1coc(-c2ccccc2)n1
InChIInChI=1S/C12H13NO.C12H15P/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-9H,1-2H3;1-7,9,11-13H,8,10H2/t;11-,12?/m.1/s1
InChIKeyATWLNXVWPCUAPS-XEVVMFMOSA-N
XLogP6.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole
CID 146379712
2-(2-phenyl-1,3-oxazol-4-yl)propan-1-ol
CID 115084305
2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole
CID 115049454
4-(4-propan-2-yl-1,3-oxazol-2-yl)benzaldehyde
CID 115029103
1-(2-phenyl-1,3-oxazol-4-yl)ethyl methanesulfonate
CID 141169547
2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole
CID 167038806
4-fluoro-2-phenyl-1,3-oxazole
CID 141447377
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
4-(azetidin-3-yl)-2-phenyl-1,3-oxazole
CID 105452809
2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one
CID 175895153
1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 115084321
2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide
CID 72942956

Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole?
The IUPAC name of [(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole (CID 175003058) is [(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for [(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for [(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole is C1=CCC(P[C@@H]2C=CC=CC2)C=C1.CC(C)c1coc(-c2ccccc2)n1.
What is the InChIKey of [(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole?
The InChIKey is ATWLNXVWPCUAPS-XEVVMFMOSA-N. The full InChI is InChI=1S/C12H13NO.C12H15P/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-9H,1-2H3;1-7,9,11-13H,8,10H2/t;11-,12?/m.1/s1.
What are the key properties of [(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole?
[(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole has a molecular weight of 377.47 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohexa-2,4-dien-1-yl]-cyclohexa-2,4-dien-1-ylphosphane;2-phenyl-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 175003058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).