2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine

C13H12N2O — CID 143915042

IUPAC2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine
SMILESC=C(C)/C=C\C(=C)c1nc2cccnc2o1
InChIInChI=1S/C13H12N2O/c1-9(2)6-7-10(3)12-15-11-5-4-8-14-13(11)16-12/h4-8H,1,3H2,2H3/b7-6-
InChIKeyBHUCRSIKCWMTSL-SREVYHEPSA-N
MW212.25 g/mol
LogP3.37
Rot. Bonds3

About 2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine

2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 143915042) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID143915042
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine
SMILESC=C(C)/C=C\C(=C)c1nc2cccnc2o1
InChIInChI=1S/C13H12N2O/c1-9(2)6-7-10(3)12-15-11-5-4-8-14-13(11)16-12/h4-8H,1,3H2,2H3/b7-6-
InChIKeyBHUCRSIKCWMTSL-SREVYHEPSA-N
XLogP3.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine 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-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone
CID 96629973
1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanamine
CID 82277094
2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337553
4-(3-methylbuta-1,3-dienyl)quinoline
CID 123171644
2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 58625631
2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
CID 83859387
2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine
CID 83833362
N-methyl-5-[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine
CID 58362690
2-(3-methylbuta-1,3-dienyl)quinoline
CID 1274018
2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine
CID 91037930
quinoline;tetramethylsilane
CID 91292784
prop-1-ene;quinoline
CID 159640565

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine (CID 143915042) is 2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine is C=C(C)/C=C\C(=C)c1nc2cccnc2o1.
What is the InChIKey of 2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is BHUCRSIKCWMTSL-SREVYHEPSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9(2)6-7-10(3)12-15-11-5-4-8-14-13(11)16-12/h4-8H,1,3H2,2H3/b7-6-.
What are the key properties of 2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine?
2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 212.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 143915042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).