N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C14H23N3O5S — CID 146074999

IUPACN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOC1(CNC(=O)c2c(C)noc2C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H23N3O5S/c1-10-12(11(2)22-16-10)13(18)15-9-14(21-3)5-7-17(8-6-14)23(4,19)20/h5-9H2,1-4H3,(H,15,18)
InChIKeyHMFZTZKAOQOYAT-UHFFFAOYSA-N
MW345.42 g/mol
LogP0.46
Rot. Bonds5

About N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 146074999) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID146074999
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC NameN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOC1(CNC(=O)c2c(C)noc2C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H23N3O5S/c1-10-12(11(2)22-16-10)13(18)15-9-14(21-3)5-7-17(8-6-14)23(4,19)20/h5-9H2,1-4H3,(H,15,18)
InChIKeyHMFZTZKAOQOYAT-UHFFFAOYSA-N
XLogP0.46
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146074971
4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146080554
5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146075012
1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449567
N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 139011697
(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine
CID 130519310
3-(2-chlorophenyl)-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]prop-2-enamide
CID 171148556
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 110124285
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 146075175
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124968569
N'-(2-cyanophenyl)-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]oxamide
CID 146075191
N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 131914815

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 146074999) is N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is COC1(CNC(=O)c2c(C)noc2C)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is HMFZTZKAOQOYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-10-12(11(2)22-16-10)13(18)15-9-14(21-3)5-7-17(8-6-14)23(4,19)20/h5-9H2,1-4H3,(H,15,18).
What are the key properties of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 146074999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).