4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide

C17H27N3O2S — CID 59436910

IUPAC4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)NCC2CCNCC2)c1SC1CCCCC1
InChIInChI=1S/C17H27N3O2S/c1-12-16(23-14-5-3-2-4-6-14)15(22-20-12)17(21)19-11-13-7-9-18-10-8-13/h13-14,18H,2-11H2,1H3,(H,19,21)
InChIKeyOPHNKRKUIDKTTC-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.14
Rot. Bonds5

About 4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide

4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 59436910) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID59436910
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)NCC2CCNCC2)c1SC1CCCCC1
InChIInChI=1S/C17H27N3O2S/c1-12-16(23-14-5-3-2-4-6-14)15(22-20-12)17(21)19-11-13-7-9-18-10-8-13/h13-14,18H,2-11H2,1H3,(H,19,21)
InChIKeyOPHNKRKUIDKTTC-UHFFFAOYSA-N
XLogP3.14
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide (CID 59436910) is 4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)NCC2CCNCC2)c1SC1CCCCC1.
What is the InChIKey of 4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is OPHNKRKUIDKTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-12-16(23-14-5-3-2-4-6-14)15(22-20-12)17(21)19-11-13-7-9-18-10-8-13/h13-14,18H,2-11H2,1H3,(H,19,21).
What are the key properties of 4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-3-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 59436910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).