2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole

C10H12BrN3OS — CID 106924322

IUPAC2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole
SMILESCCn1nc(C)c(Br)c1CSc1ncco1
InChIInChI=1S/C10H12BrN3OS/c1-3-14-8(9(11)7(2)13-14)6-16-10-12-4-5-15-10/h4-5H,3,6H2,1-2H3
InChIKeyFELWMIHLMNJHRR-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.25
Rot. Bonds4

About 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole

2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole (PubChem CID 106924322) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole
PubChem CID106924322
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole
SMILESCCn1nc(C)c(Br)c1CSc1ncco1
InChIInChI=1S/C10H12BrN3OS/c1-3-14-8(9(11)7(2)13-14)6-16-10-12-4-5-15-10/h4-5H,3,6H2,1-2H3
InChIKeyFELWMIHLMNJHRR-UHFFFAOYSA-N
XLogP3.25
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106924347
2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole
CID 130685156
4-bromo-1-ethyl-3-methyl-5-(2-methylbutylsulfanylmethyl)pyrazole
CID 107754288
[3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]phenyl]methanamine
CID 66354757
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529670
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-pyrimidin-5-ylethanol
CID 102924052
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-5-yl)ethanol
CID 114031778
4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole
CID 79453099
4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole
CID 114692746
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718188
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol
CID 79450163
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
CID 79799948

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole (CID 106924322) is 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole is CCn1nc(C)c(Br)c1CSc1ncco1.
What is the InChIKey of 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole?
The InChIKey is FELWMIHLMNJHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-3-14-8(9(11)7(2)13-14)6-16-10-12-4-5-15-10/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole?
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole has a molecular weight of 302.20 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 106924322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).