4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole

C9H7ClN2O — CID 65240203

IUPAC4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole
SMILESClCc1cnoc1-c1cccnc1
InChIInChI=1S/C9H7ClN2O/c10-4-8-6-12-13-9(8)7-2-1-3-11-5-7/h1-3,5-6H,4H2
InChIKeyFNFCDIOMWYSHRX-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.48
Rot. Bonds2

About 4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole

4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole (PubChem CID 65240203) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole
PubChem CID65240203
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole
SMILESClCc1cnoc1-c1cccnc1
InChIInChI=1S/C9H7ClN2O/c10-4-8-6-12-13-9(8)7-2-1-3-11-5-7/h1-3,5-6H,4H2
InChIKeyFNFCDIOMWYSHRX-UHFFFAOYSA-N
XLogP2.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde
CID 82411534
3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
CID 89497165
4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine
CID 118822538
3-[2-(chloromethyl)-5-pyridin-3-ylphenyl]pyridine
CID 46316469
3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine
CID 46316213
5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride
CID 53398877
3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine
CID 46316472
4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole
CID 65240257
4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole
CID 82125800
cyclopenta[c]azepine
CID 638010
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 22221442
3-(chloromethyl)-4-phenylpyridine
CID 130967396

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole (CID 65240203) is 4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole is ClCc1cnoc1-c1cccnc1.
What is the InChIKey of 4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole?
The InChIKey is FNFCDIOMWYSHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-4-8-6-12-13-9(8)7-2-1-3-11-5-7/h1-3,5-6H,4H2.
What are the key properties of 4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole?
4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole has a molecular weight of 194.62 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 65240203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).