5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole

C14H16ClN5O — CID 106420358

IUPAC5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CCn2c(C(C)Cl)nc3c(C)ccnc32)n1
InChIInChI=1S/C14H16ClN5O/c1-8-4-6-16-14-12(8)18-13(9(2)15)20(14)7-5-11-17-10(3)19-21-11/h4,6,9H,5,7H2,1-3H3
InChIKeyUBULDVSQEAAHCA-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.97
Rot. Bonds4

About 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole

5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 106420358) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID106420358
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CCn2c(C(C)Cl)nc3c(C)ccnc32)n1
InChIInChI=1S/C14H16ClN5O/c1-8-4-6-16-14-12(8)18-13(9(2)15)20(14)7-5-11-17-10(3)19-21-11/h4,6,9H,5,7H2,1-3H3
InChIKeyUBULDVSQEAAHCA-UHFFFAOYSA-N
XLogP2.97
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407149
3-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407354
2-(1-chloroethyl)-7-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 79275874
2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293719
N-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylbutan-2-amine
CID 106004828
2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide
CID 79293274
2-(1-chloroethyl)-3-(2-methoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 104763448
2-(1-chloroethyl)-7-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277491
2-(1-chloroethyl)-3-(cyclohexylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294089
2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79293889
2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
CID 82950142
2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 107297298

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 106420358) is 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(CCn2c(C(C)Cl)nc3c(C)ccnc32)n1.
What is the InChIKey of 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is UBULDVSQEAAHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-8-4-6-16-14-12(8)18-13(9(2)15)20(14)7-5-11-17-10(3)19-21-11/h4,6,9H,5,7H2,1-3H3.
What are the key properties of 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 305.77 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106420358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).