5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide

C14H21N3O4S — CID 34390276

IUPAC5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C14H21N3O4S/c1-2-22(19,20)17-7-5-11(6-8-17)15-14(18)12-9-13(21-16-12)10-3-4-10/h9-11H,2-8H2,1H3,(H,15,18)
InChIKeyLPPQCWHWQOZTSR-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.10
Rot. Bonds5

About 5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 34390276) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID34390276
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C14H21N3O4S/c1-2-22(19,20)17-7-5-11(6-8-17)15-14(18)12-9-13(21-16-12)10-3-4-10/h9-11H,2-8H2,1H3,(H,15,18)
InChIKeyLPPQCWHWQOZTSR-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide (CID 34390276) is 5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1.
What is the InChIKey of 5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is LPPQCWHWQOZTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-2-22(19,20)17-7-5-11(6-8-17)15-14(18)12-9-13(21-16-12)10-3-4-10/h9-11H,2-8H2,1H3,(H,15,18).
What are the key properties of 5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 34390276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).