N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane

C16H22N3OP — CID 143032047

IUPACN-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane
SMILESC=C/C(=N\C=C/CC)C1CC(c2ccccn2)=NO1.CP
InChIInChI=1S/C15H17N3O.CH5P/c1-3-5-9-16-12(4-2)15-11-14(18-19-15)13-8-6-7-10-17-13;1-2/h4-10,15H,2-3,11H2,1H3;2H2,1H3/b9-5-,16-12+;
InChIKeySBGTUSPTYXGSBX-OUDJNKSRSA-N
MW303.35 g/mol
LogP3.62
Rot. Bonds5

About N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane

N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane (PubChem CID 143032047) has the molecular formula C16H22N3OP and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane
PubChem CID143032047
Molecular FormulaC16H22N3OP
Molecular Weight303.35 g/mol
Exact Mass303.15
IUPAC NameN-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane
SMILESC=C/C(=N\C=C/CC)C1CC(c2ccccn2)=NO1.CP
InChIInChI=1S/C15H17N3O.CH5P/c1-3-5-9-16-12(4-2)15-11-14(18-19-15)13-8-6-7-10-17-13;1-2/h4-10,15H,2-3,11H2,1H3;2H2,1H3/b9-5-,16-12+;
InChIKeySBGTUSPTYXGSBX-OUDJNKSRSA-N
XLogP3.62
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078862
methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 89070674
5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole
CID 71713998
N-[(Z)-but-1-enyl]-1-quinolin-2-ylprop-2-en-1-imine
CID 88560794
propane;2-pyridin-2-ylpyridine
CID 158168510
2-(5-pyridin-2-yl-4H-pyrazol-3-yl)pyridine
CID 58175901
3-propan-2-yl-1-[(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 42816129
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-(2H-azirin-3-yl)pyridine
CID 123655147
2-[6-(2,3-dimethylhept-4-en-3-yl)cyclohexa-1,3-dien-1-yl]pyridine;ethane
CID 144615797
2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine
CID 146591390
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane?
The IUPAC name of N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane (CID 143032047) is N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane.
What is the SMILES notation for N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane?
The canonical SMILES for N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane is C=C/C(=N\C=C/CC)C1CC(c2ccccn2)=NO1.CP.
What is the InChIKey of N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane?
The InChIKey is SBGTUSPTYXGSBX-OUDJNKSRSA-N. The full InChI is InChI=1S/C15H17N3O.CH5P/c1-3-5-9-16-12(4-2)15-11-14(18-19-15)13-8-6-7-10-17-13;1-2/h4-10,15H,2-3,11H2,1H3;2H2,1H3/b9-5-,16-12+;.
What are the key properties of N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane?
N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane has a molecular weight of 303.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane is sourced from PubChem (CID 143032047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).