5-(bromomethyl)-2-propyl-1,3-oxazole

C7H10BrNO — CID 165441984

IUPAC5-(bromomethyl)-2-propyl-1,3-oxazole
SMILESCCCc1ncc(CBr)o1
InChIInChI=1S/C7H10BrNO/c1-2-3-7-9-5-6(4-8)10-7/h5H,2-4H2,1H3
InChIKeyKKCKCJGVZPPMEK-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.52
Rot. Bonds3

About 5-(bromomethyl)-2-propyl-1,3-oxazole

5-(bromomethyl)-2-propyl-1,3-oxazole (PubChem CID 165441984) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 5-(bromomethyl)-2-propyl-1,3-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-2-propyl-1,3-oxazole
PubChem CID165441984
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name5-(bromomethyl)-2-propyl-1,3-oxazole
SMILESCCCc1ncc(CBr)o1
InChIInChI=1S/C7H10BrNO/c1-2-3-7-9-5-6(4-8)10-7/h5H,2-4H2,1H3
InChIKeyKKCKCJGVZPPMEK-UHFFFAOYSA-N
XLogP2.52
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.52
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

2-(5-propyl-1,3-oxazol-2-yl)ethanamine
CID 65178585
2,5-dipentyl-1,3-oxazole
CID 67264472
3-(5-propyl-1,3-oxazol-2-yl)propanoic acid
CID 115016405
2-methyl-N-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]propan-2-amine
CID 65182161
2-(5-propyl-1,3-oxazol-2-yl)acetic acid
CID 115013535
N-[(5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184036
2-(5-ethyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 66588553
5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole
CID 118606358
N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine
CID 115087026
2-[6-[(2-propyl-1,3-oxazol-5-yl)methyl]-2-pyridinyl]propan-2-ol
CID 154658132
3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid
CID 84653363
5-bromo-2-pentyl-1,3-oxazole
CID 67062833

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-propyl-1,3-oxazole?
The IUPAC name of 5-(bromomethyl)-2-propyl-1,3-oxazole (CID 165441984) is 5-(bromomethyl)-2-propyl-1,3-oxazole.
What is the SMILES notation for 5-(bromomethyl)-2-propyl-1,3-oxazole?
The canonical SMILES for 5-(bromomethyl)-2-propyl-1,3-oxazole is CCCc1ncc(CBr)o1.
What is the InChIKey of 5-(bromomethyl)-2-propyl-1,3-oxazole?
The InChIKey is KKCKCJGVZPPMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-2-3-7-9-5-6(4-8)10-7/h5H,2-4H2,1H3.
What are the key properties of 5-(bromomethyl)-2-propyl-1,3-oxazole?
5-(bromomethyl)-2-propyl-1,3-oxazole has a molecular weight of 204.07 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-propyl-1,3-oxazole is sourced from PubChem (CID 165441984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).