3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole

C7H8ClNO — CID 135170631

IUPAC3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole
SMILESCc1cc(C2(Cl)CC2)no1
InChIInChI=1S/C7H8ClNO/c1-5-4-6(9-10-5)7(8)2-3-7/h4H,2-3H2,1H3
InChIKeyAQBATQVWZYPWSE-UHFFFAOYSA-N
MW157.60 g/mol
LogP2.21
Rot. Bonds1

About 3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole

3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole (PubChem CID 135170631) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole
PubChem CID135170631
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole
SMILESCc1cc(C2(Cl)CC2)no1
InChIInChI=1S/C7H8ClNO/c1-5-4-6(9-10-5)7(8)2-3-7/h4H,2-3H2,1H3
InChIKeyAQBATQVWZYPWSE-UHFFFAOYSA-N
XLogP2.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(Chloromethyl)-3-cyclohexylisoxazole
CID 12364607
5-(3-Chloropropyl)-3-methylisoxazole
CID 10103423
3-(Chloromethyl)-5-methyl-1,2-oxazole
CID 2735763
5-(Bromomethyl)-3-(propan-2-yl)-1,2-oxazole
CID 14852907
5-(Chloromethyl)-3-ethyl-1,2-oxazole
CID 12364600
5-(Chloromethyl)-3-(propan-2-yl)-1,2-oxazole
CID 12364602
3-(Chloromethyl)-5-ethyl-1,2-oxazole
CID 14267298
5-(Chloromethyl)-3-cyclopropyl-1,2-oxazole
CID 14650105
5-(1-Chloroethyl)-3-methyl-1,2-oxazole
CID 20284546
3-(Chloromethyl)-5-(propan-2-yl)-1,2-oxazole
CID 25220785
3-(Chloromethyl)-5-cyclopropyl-1,2-oxazole
CID 25220789
3-(Propan-2-yl)-1,2-oxazole-5-carbonitrile
CID 46318392

Frequently Asked Questions

What is the IUPAC name of 3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole (CID 135170631) is 3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole is Cc1cc(C2(Cl)CC2)no1.
What is the InChIKey of 3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole?
The InChIKey is AQBATQVWZYPWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-5-4-6(9-10-5)7(8)2-3-7/h4H,2-3H2,1H3.
What are the key properties of 3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole?
3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole has a molecular weight of 157.60 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 135170631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).