5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide

C24H32N4O4S — CID 155518897

IUPAC5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc(CN3CCCCC3)cc2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C24H32N4O4S/c29-24(22-16-23(32-26-22)19-6-7-19)25-20-10-14-28(15-11-20)33(30,31)21-8-4-18(5-9-21)17-27-12-2-1-3-13-27/h4-5,8-9,16,19-20H,1-3,6-7,10-15,17H2,(H,25,29)
InChIKeyRFACOAONXJHTPT-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.12
Rot. Bonds7

About 5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 155518897) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID155518897
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc(CN3CCCCC3)cc2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C24H32N4O4S/c29-24(22-16-23(32-26-22)19-6-7-19)25-20-10-14-28(15-11-20)33(30,31)21-8-4-18(5-9-21)17-27-12-2-1-3-13-27/h4-5,8-9,16,19-20H,1-3,6-7,10-15,17H2,(H,25,29)
InChIKeyRFACOAONXJHTPT-UHFFFAOYSA-N
XLogP3.12
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 155518897) is 5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CCN(S(=O)(=O)c2ccc(CN3CCCCC3)cc2)CC1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is RFACOAONXJHTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c29-24(22-16-23(32-26-22)19-6-7-19)25-20-10-14-28(15-11-20)33(30,31)21-8-4-18(5-9-21)17-27-12-2-1-3-13-27/h4-5,8-9,16,19-20H,1-3,6-7,10-15,17H2,(H,25,29).
What are the key properties of 5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155518897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).