3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole

C11H9ClN4O — CID 156521989

IUPAC3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2cnc3c(Cl)nccc32)no1
InChIInChI=1S/C11H9ClN4O/c1-7-4-8(15-17-7)5-16-6-14-10-9(16)2-3-13-11(10)12/h2-4,6H,5H2,1H3
InChIKeyQRNLTZKRTBDIMQ-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.43
Rot. Bonds2

About 3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole

3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 156521989) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID156521989
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2cnc3c(Cl)nccc32)no1
InChIInChI=1S/C11H9ClN4O/c1-7-4-8(15-17-7)5-16-6-14-10-9(16)2-3-13-11(10)12/h2-4,6H,5H2,1H3
InChIKeyQRNLTZKRTBDIMQ-UHFFFAOYSA-N
XLogP2.43
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 146288408
5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one
CID 66310447
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 155910168
[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66413936
(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104942425
3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
CID 114760853
3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole
CID 97065568
1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 141220719
4-chloro-2-methyltriazolo[4,5-c]pyridine
CID 90481612
3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
CID 114692779
1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543397

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole (CID 156521989) is 3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole is Cc1cc(Cn2cnc3c(Cl)nccc32)no1.
What is the InChIKey of 3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is QRNLTZKRTBDIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c1-7-4-8(15-17-7)5-16-6-14-10-9(16)2-3-13-11(10)12/h2-4,6H,5H2,1H3.
What are the key properties of 3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole?
3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 248.67 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloroimidazo[4,5-c]pyridin-1-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 156521989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).