N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide

C14H23N3O4S — CID 75460886

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1CCCCN1S(C)(=O)=O
InChIInChI=1S/C14H23N3O4S/c1-10-12(11(2)21-15-10)9-16(3)14(18)13-7-5-6-8-17(13)22(4,19)20/h13H,5-9H2,1-4H3
InChIKeyWLLFHLITTIOSHV-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.06
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 75460886) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID75460886
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1CCCCN1S(C)(=O)=O
InChIInChI=1S/C14H23N3O4S/c1-10-12(11(2)21-15-10)9-16(3)14(18)13-7-5-6-8-17(13)22(4,19)20/h13H,5-9H2,1-4H3
InChIKeyWLLFHLITTIOSHV-UHFFFAOYSA-N
XLogP1.06
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide (CID 75460886) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide is Cc1noc(C)c1CN(C)C(=O)C1CCCCN1S(C)(=O)=O.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is WLLFHLITTIOSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-10-12(11(2)21-15-10)9-16(3)14(18)13-7-5-6-8-17(13)22(4,19)20/h13H,5-9H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 75460886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).