(Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one

C23H34N2O2 — CID 44589316

IUPAC(Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCC(=O)c1nc2ccncc2o1
InChIInChI=1S/C23H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26)23-25-20-17-18-24-19-22(20)27-23/h9-10,17-19H,2-8,11-16H2,1H3/b10-9-
InChIKeyAXNYGFLUPIDENJ-KTKRTIGZSA-N
MW370.54 g/mol
LogP7.05
Rot. Bonds15

About (Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one

(Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one (PubChem CID 44589316) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one.

Molecular Properties

Compound Name(Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one
PubChem CID44589316
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name(Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCC(=O)c1nc2ccncc2o1
InChIInChI=1S/C23H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26)23-25-20-17-18-24-19-22(20)27-23/h9-10,17-19H,2-8,11-16H2,1H3/b10-9-
InChIKeyAXNYGFLUPIDENJ-KTKRTIGZSA-N
XLogP7.05
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one?
The IUPAC name of (Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one (CID 44589316) is (Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one.
What is the SMILES notation for (Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one?
The canonical SMILES for (Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one is CCCCCCCC/C=C\CCCCCCC(=O)c1nc2ccncc2o1.
What is the InChIKey of (Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one?
The InChIKey is AXNYGFLUPIDENJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26)23-25-20-17-18-24-19-22(20)27-23/h9-10,17-19H,2-8,11-16H2,1H3/b10-9-.
What are the key properties of (Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one?
(Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one has a molecular weight of 370.54 g/mol, XLogP of 7.05, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)heptadec-8-en-1-one is sourced from PubChem (CID 44589316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).