4-(chloromethyl)-5-cyclopropyl-1,3-oxazole

C7H8ClNO — CID 71683236

IUPAC4-(chloromethyl)-5-cyclopropyl-1,3-oxazole
SMILESClCc1ncoc1C1CC1
InChIInChI=1S/C7H8ClNO/c8-3-6-7(5-1-2-5)10-4-9-6/h4-5H,1-3H2
InChIKeyJBTLCPQMWCOCBK-UHFFFAOYSA-N
MW157.60 g/mol
LogP2.29
Rot. Bonds2

About 4-(chloromethyl)-5-cyclopropyl-1,3-oxazole

4-(chloromethyl)-5-cyclopropyl-1,3-oxazole (PubChem CID 71683236) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 4-(chloromethyl)-5-cyclopropyl-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-cyclopropyl-1,3-oxazole
PubChem CID71683236
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name4-(chloromethyl)-5-cyclopropyl-1,3-oxazole
SMILESClCc1ncoc1C1CC1
InChIInChI=1S/C7H8ClNO/c8-3-6-7(5-1-2-5)10-4-9-6/h4-5H,1-3H2
InChIKeyJBTLCPQMWCOCBK-UHFFFAOYSA-N
XLogP2.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-cyclopropyl-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-5-cyclopropyl-1,3-oxazole (CID 71683236) is 4-(chloromethyl)-5-cyclopropyl-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-cyclopropyl-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-cyclopropyl-1,3-oxazole is ClCc1ncoc1C1CC1.
What is the InChIKey of 4-(chloromethyl)-5-cyclopropyl-1,3-oxazole?
The InChIKey is JBTLCPQMWCOCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c8-3-6-7(5-1-2-5)10-4-9-6/h4-5H,1-3H2.
What are the key properties of 4-(chloromethyl)-5-cyclopropyl-1,3-oxazole?
4-(chloromethyl)-5-cyclopropyl-1,3-oxazole has a molecular weight of 157.60 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-cyclopropyl-1,3-oxazole is sourced from PubChem (CID 71683236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).