2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine

C25H20N4O2S — CID 144513113

IUPAC2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(c1nc2ncccc2o1)C(c1nc2ccccc2o1)C(C)c1nc2ccccc2s1
InChIInChI=1S/C25H20N4O2S/c1-14(23-29-22-19(31-23)11-7-13-26-22)21(24-27-16-8-3-5-10-18(16)30-24)15(2)25-28-17-9-4-6-12-20(17)32-25/h3-15,21H,1-2H3
InChIKeyQPMQCZOFDRQVFB-UHFFFAOYSA-N
MW440.53 g/mol
LogP6.66
Rot. Bonds5

About 2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine

2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 144513113) has the molecular formula C25H20N4O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID144513113
Molecular FormulaC25H20N4O2S
Molecular Weight440.53 g/mol
Exact Mass440.13
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(c1nc2ncccc2o1)C(c1nc2ccccc2o1)C(C)c1nc2ccccc2s1
InChIInChI=1S/C25H20N4O2S/c1-14(23-29-22-19(31-23)11-7-13-26-22)21(24-27-16-8-3-5-10-18(16)30-24)15(2)25-28-17-9-4-6-12-20(17)32-25/h3-15,21H,1-2H3
InChIKeyQPMQCZOFDRQVFB-UHFFFAOYSA-N
XLogP6.66
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-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

N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 72204712
N-(6-Ethoxy-1,3-benzothiazol-2-YL)-2-{[1,3]oxazolo[4,5-B]pyridin-2-ylsulfanyl}acetamide
CID 22587575
3-(1,3-benzoxazol-2-yl)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 8106880
[4-(1,3-Benzoxazol-2-yl)piperidin-1-yl]-[1-(1,3-thiazol-2-yl)piperidin-4-yl]methanone
CID 17429252
2-(1,3-Benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 54579820
6-(1,3-Benzoxazol-2-yl)-5-methylthieno-[2,3-d]pyrimidine
CID 134812925
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 112807472
2-{[(5-Methyl-2-thien-2-yl-1,3-oxazol-4-yl)methyl]thio}[1,3]oxazolo[4,5-b]pyridine
CID 20948866
N-(1,3-Benzothiazol-2-YL)-2-{[1,3]oxazolo[4,5-B]pyridin-2-ylsulfanyl}acetamide
CID 22587555
N-(6-Methoxy-1,3-benzothiazol-2-YL)-2-{[1,3]oxazolo[4,5-B]pyridin-2-ylsulfanyl}acetamide
CID 22587576
2-(2-(1H-pyrrol-1-yl)thiazol-4-yl)-1-(4-(benzo[d]oxazol-2-yl)piperidin-1-yl)ethanone
CID 44088126
2-{1-[(2-Pyrimidin-2-yl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl}-1,3-benzoxazole
CID 132423887

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine (CID 144513113) is 2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine is CC(c1nc2ncccc2o1)C(c1nc2ccccc2o1)C(C)c1nc2ccccc2s1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is QPMQCZOFDRQVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2S/c1-14(23-29-22-19(31-23)11-7-13-26-22)21(24-27-16-8-3-5-10-18(16)30-24)15(2)25-28-17-9-4-6-12-20(17)32-25/h3-15,21H,1-2H3.
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine?
2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 440.53 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 144513113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).