2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole

C10H16N2OS — CID 130490292

IUPAC2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole
SMILESCc1coc(SC2CCCNCC2)n1
InChIInChI=1S/C10H16N2OS/c1-8-7-13-10(12-8)14-9-3-2-5-11-6-4-9/h7,9,11H,2-6H2,1H3
InChIKeyVYLVRJMOWZHCPT-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.22
Rot. Bonds2

About 2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole

2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole (PubChem CID 130490292) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole
PubChem CID130490292
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole
SMILESCc1coc(SC2CCCNCC2)n1
InChIInChI=1S/C10H16N2OS/c1-8-7-13-10(12-8)14-9-3-2-5-11-6-4-9/h7,9,11H,2-6H2,1H3
InChIKeyVYLVRJMOWZHCPT-UHFFFAOYSA-N
XLogP2.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylfuran-3-yl)sulfanylazepane
CID 126974899
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol
CID 106923607
2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine
CID 102925601
2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole
CID 131203577
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 106927564
6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole
CID 28815163
ethyl 1-(methylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxylate
CID 106925222
2-methyl-5-piperidin-4-ylsulfanylpyridine
CID 166120275
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 106924584
4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole
CID 165488359
2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine
CID 102925592
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole (CID 130490292) is 2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole is Cc1coc(SC2CCCNCC2)n1.
What is the InChIKey of 2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole?
The InChIKey is VYLVRJMOWZHCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-7-13-10(12-8)14-9-3-2-5-11-6-4-9/h7,9,11H,2-6H2,1H3.
What are the key properties of 2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole?
2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole has a molecular weight of 212.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 130490292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).