(Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one

C24H36N2O2 — CID 56673180

IUPAC(Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)c1nc2cccnc2o1
InChIInChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(27)24-26-21-18-17-20-25-23(21)28-24/h9-10,17-18,20H,2-8,11-16,19H2,1H3/b10-9-
InChIKeyZWVJENCSDSZVOS-KTKRTIGZSA-N
MW384.56 g/mol
LogP7.44
Rot. Bonds16

About (Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one

(Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one (PubChem CID 56673180) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is (Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one.

Molecular Properties

Compound Name(Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one
PubChem CID56673180
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name(Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)c1nc2cccnc2o1
InChIInChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(27)24-26-21-18-17-20-25-23(21)28-24/h9-10,17-18,20H,2-8,11-16,19H2,1H3/b10-9-
InChIKeyZWVJENCSDSZVOS-KTKRTIGZSA-N
XLogP7.44
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 57.44
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'}

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Related Compounds

CID 16735383
CID 16735383
CID 16735618
CID 16735618
CID 16735834
CID 16735834
CID 16736437
CID 16736437
CID 16736927
CID 16736927
CID 16736930
CID 16736930
CID 16738151
CID 16738151
CID 16110651
CID 16110651
CID 16735838
CID 16735838
CID 9405457
CID 9405457
CID 10293363
CID 10293363
CID 11173328
CID 11173328

Frequently Asked Questions

What is the IUPAC name of (Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one?
The IUPAC name of (Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one (CID 56673180) is (Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one.
What is the SMILES notation for (Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one?
The canonical SMILES for (Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one is CCCCCCCC/C=C\CCCCCCCC(=O)c1nc2cccnc2o1.
What is the InChIKey of (Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one?
The InChIKey is ZWVJENCSDSZVOS-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(27)24-26-21-18-17-20-25-23(21)28-24/h9-10,17-18,20H,2-8,11-16,19H2,1H3/b10-9-.
What are the key properties of (Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one?
(Z)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)octadec-9-en-1-one has a molecular weight of 384.56 g/mol, XLogP of 7.44, 16 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-b]pyridin-2-yl)octadec-9-en-1-one is sourced from PubChem (CID 56673180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).