N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide

C18H27N3O3S — CID 59436862

IUPACN-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide
SMILESCc1noc(C(=O)N2CCC(CNC=O)CC2)c1SC1CCCCC1
InChIInChI=1S/C18H27N3O3S/c1-13-17(25-15-5-3-2-4-6-15)16(24-20-13)18(23)21-9-7-14(8-10-21)11-19-12-22/h12,14-15H,2-11H2,1H3,(H,19,22)
InChIKeyVHKTVOPBSJMEIS-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.01
Rot. Bonds6

About N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide

N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide (PubChem CID 59436862) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide
PubChem CID59436862
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide
SMILESCc1noc(C(=O)N2CCC(CNC=O)CC2)c1SC1CCCCC1
InChIInChI=1S/C18H27N3O3S/c1-13-17(25-15-5-3-2-4-6-15)16(24-20-13)18(23)21-9-7-14(8-10-21)11-19-12-22/h12,14-15H,2-11H2,1H3,(H,19,22)
InChIKeyVHKTVOPBSJMEIS-UHFFFAOYSA-N
XLogP3.01
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide?
The IUPAC name of N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide (CID 59436862) is N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide.
What is the SMILES notation for N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide?
The canonical SMILES for N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide is Cc1noc(C(=O)N2CCC(CNC=O)CC2)c1SC1CCCCC1.
What is the InChIKey of N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide?
The InChIKey is VHKTVOPBSJMEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-13-17(25-15-5-3-2-4-6-15)16(24-20-13)18(23)21-9-7-14(8-10-21)11-19-12-22/h12,14-15H,2-11H2,1H3,(H,19,22).
What are the key properties of N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide?
N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide has a molecular weight of 365.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]formamide is sourced from PubChem (CID 59436862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).