2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole

C8H9N3OS — CID 130608822

IUPAC2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole
SMILESCn1nccc1CSc1ncco1
InChIInChI=1S/C8H9N3OS/c1-11-7(2-3-10-11)6-13-8-9-4-5-12-8/h2-5H,6H2,1H3
InChIKeyKPCBJXYKQCYHRR-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.70
Rot. Bonds3

About 2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole

2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole (PubChem CID 130608822) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole
PubChem CID130608822
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole
SMILESCn1nccc1CSc1ncco1
InChIInChI=1S/C8H9N3OS/c1-11-7(2-3-10-11)6-13-8-9-4-5-12-8/h2-5H,6H2,1H3
InChIKeyKPCBJXYKQCYHRR-UHFFFAOYSA-N
XLogP1.70
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol
CID 106923568
N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927384
[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927256
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
CID 106921258
5-(iodomethyl)-1-methylpyrazole
CID 126698907
5-(bromomethyl)-1-methylpyrazole
CID 59589503
5-(cyclopentylsulfanylmethyl)-1-methylpyrazole
CID 130678334
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole
CID 106924322
2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
CID 106920681
2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole
CID 106924329
4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 106922512
2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole
CID 131207073

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole (CID 130608822) is 2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole is Cn1nccc1CSc1ncco1.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole?
The InChIKey is KPCBJXYKQCYHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-11-7(2-3-10-11)6-13-8-9-4-5-12-8/h2-5H,6H2,1H3.
What are the key properties of 2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole?
2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole has a molecular weight of 195.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 130608822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).