4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

C18H27N3O3S — CID 59436771

IUPAC4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)NCC2CCN(C=O)CC2)c1SC1CCCCC1
InChIInChI=1S/C18H27N3O3S/c1-13-17(25-15-5-3-2-4-6-15)16(24-20-13)18(23)19-11-14-7-9-21(12-22)10-8-14/h12,14-15H,2-11H2,1H3,(H,19,23)
InChIKeySCPHBZOATCRLSO-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.01
Rot. Bonds6

About 4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 59436771) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID59436771
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)NCC2CCN(C=O)CC2)c1SC1CCCCC1
InChIInChI=1S/C18H27N3O3S/c1-13-17(25-15-5-3-2-4-6-15)16(24-20-13)18(23)19-11-14-7-9-21(12-22)10-8-14/h12,14-15H,2-11H2,1H3,(H,19,23)
InChIKeySCPHBZOATCRLSO-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 4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 59436771) is 4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)NCC2CCN(C=O)CC2)c1SC1CCCCC1.
What is the InChIKey of 4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is SCPHBZOATCRLSO-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)19-11-14-7-9-21(12-22)10-8-14/h12,14-15H,2-11H2,1H3,(H,19,23).
What are the key properties of 4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide 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 4-cyclohexylsulfanyl-N-[(1-formylpiperidin-4-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 59436771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).