4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol

C19H19N3O4S — CID 135967654

IUPAC4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol
SMILESO=S(=O)(c1cccc(-c2ccc(O)cc2)n1)N1CCC(c2cnco2)CC1
InChIInChI=1S/C19H19N3O4S/c23-16-6-4-14(5-7-16)17-2-1-3-19(21-17)27(24,25)22-10-8-15(9-11-22)18-12-20-13-26-18/h1-7,12-13,15,23H,8-11H2
InChIKeyMTLKAXHJYCSMPM-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.01
Rot. Bonds4

About 4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol

4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol (PubChem CID 135967654) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol
PubChem CID135967654
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol
SMILESO=S(=O)(c1cccc(-c2ccc(O)cc2)n1)N1CCC(c2cnco2)CC1
InChIInChI=1S/C19H19N3O4S/c23-16-6-4-14(5-7-16)17-2-1-3-19(21-17)27(24,25)22-10-8-15(9-11-22)18-12-20-13-26-18/h1-7,12-13,15,23H,8-11H2
InChIKeyMTLKAXHJYCSMPM-UHFFFAOYSA-N
XLogP3.01
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol?
The IUPAC name of 4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol (CID 135967654) is 4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol.
What is the SMILES notation for 4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol?
The canonical SMILES for 4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol is O=S(=O)(c1cccc(-c2ccc(O)cc2)n1)N1CCC(c2cnco2)CC1.
What is the InChIKey of 4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol?
The InChIKey is MTLKAXHJYCSMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-16-6-4-14(5-7-16)17-2-1-3-19(21-17)27(24,25)22-10-8-15(9-11-22)18-12-20-13-26-18/h1-7,12-13,15,23H,8-11H2.
What are the key properties of 4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol?
4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol has a molecular weight of 385.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenol is sourced from PubChem (CID 135967654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).