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

C10H12BrN3O — CID 103573299

IUPAC5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole
SMILESCCCn1cc(-c2cc(CBr)on2)cn1
InChIInChI=1S/C10H12BrN3O/c1-2-3-14-7-8(6-12-14)10-4-9(5-11)15-13-10/h4,6-7H,2-3,5H2,1H3
InChIKeyLBCKPTNPPUVXKD-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.84
Rot. Bonds4

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

5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole (PubChem CID 103573299) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole
PubChem CID103573299
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole
SMILESCCCn1cc(-c2cc(CBr)on2)cn1
InChIInChI=1S/C10H12BrN3O/c1-2-3-14-7-8(6-12-14)10-4-9(5-11)15-13-10/h4,6-7H,2-3,5H2,1H3
InChIKeyLBCKPTNPPUVXKD-UHFFFAOYSA-N
XLogP2.84
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-3-(3-methylimidazol-4-yl)-1,2-oxazole
CID 66117288
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
CID 116642488
5-(2-chloroethyl)-3-(1-methylpyrazol-4-yl)-1,2-oxazole
CID 130517133
4-(6-bromo-1,3-benzodioxol-5-yl)-1-propylpyrazole
CID 172909417
1-propyl-4-(1H-pyrazol-4-yl)pyrazole
CID 131201406
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313
4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine
CID 80952004
4-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 104877313
2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80948335
N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
CID 131939149
N-methylsulfanyl-3-(1-propylpyrazol-4-yl)aniline
CID 154687703

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole (CID 103573299) is 5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole is CCCn1cc(-c2cc(CBr)on2)cn1.
What is the InChIKey of 5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is LBCKPTNPPUVXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-2-3-14-7-8(6-12-14)10-4-9(5-11)15-13-10/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole?
5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 270.13 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 103573299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).