N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C14H21N3O4S — CID 71806318

IUPACN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C14H21N3O4S/c1-10-13(9-16-21-10)14(18)15-8-11-4-6-17(7-5-11)22(19,20)12-2-3-12/h9,11-12H,2-8H2,1H3,(H,15,18)
InChIKeyPTLFOGXWJAGTBK-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.92
Rot. Bonds5

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

N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 71806318) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID71806318
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C14H21N3O4S/c1-10-13(9-16-21-10)14(18)15-8-11-4-6-17(7-5-11)22(19,20)12-2-3-12/h9,11-12H,2-8H2,1H3,(H,15,18)
InChIKeyPTLFOGXWJAGTBK-UHFFFAOYSA-N
XLogP0.92
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 71806318) is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PTLFOGXWJAGTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10-13(9-16-21-10)14(18)15-8-11-4-6-17(7-5-11)22(19,20)12-2-3-12/h9,11-12H,2-8H2,1H3,(H,15,18).
What are the key properties of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71806318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).