4-(bromomethyl)-5-propan-2-yl-1,3-oxazole

C7H10BrNO — CID 79154250

IUPAC4-(bromomethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CBr
InChIInChI=1S/C7H10BrNO/c1-5(2)7-6(3-8)9-4-10-7/h4-5H,3H2,1-2H3
InChIKeyBNXZVKXOSMTQPP-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.69
Rot. Bonds2

About 4-(bromomethyl)-5-propan-2-yl-1,3-oxazole

4-(bromomethyl)-5-propan-2-yl-1,3-oxazole (PubChem CID 79154250) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 4-(bromomethyl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-propan-2-yl-1,3-oxazole
PubChem CID79154250
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name4-(bromomethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CBr
InChIInChI=1S/C7H10BrNO/c1-5(2)7-6(3-8)9-4-10-7/h4-5H,3H2,1-2H3
InChIKeyBNXZVKXOSMTQPP-UHFFFAOYSA-N
XLogP2.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.69
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-(bromomethyl)-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-propan-2-yl-1,3-oxazole (CID 79154250) is 4-(bromomethyl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-propan-2-yl-1,3-oxazole is CC(C)c1ocnc1CBr.
What is the InChIKey of 4-(bromomethyl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is BNXZVKXOSMTQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-5(2)7-6(3-8)9-4-10-7/h4-5H,3H2,1-2H3.
What are the key properties of 4-(bromomethyl)-5-propan-2-yl-1,3-oxazole?
4-(bromomethyl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 204.07 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 79154250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).