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

C20H22N4O3S — CID 58211257

IUPAC[4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine
SMILESNCc1ccc(-c2cccc(S(=O)(=O)N3CCC(c4cnco4)CC3)n2)cc1
InChIInChI=1S/C20H22N4O3S/c21-12-15-4-6-16(7-5-15)18-2-1-3-20(23-18)28(25,26)24-10-8-17(9-11-24)19-13-22-14-27-19/h1-7,13-14,17H,8-12,21H2
InChIKeyIACMUFTVQPKVEC-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.76
Rot. Bonds5

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

[4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine (PubChem CID 58211257) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is [4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine
PubChem CID58211257
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name[4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine
SMILESNCc1ccc(-c2cccc(S(=O)(=O)N3CCC(c4cnco4)CC3)n2)cc1
InChIInChI=1S/C20H22N4O3S/c21-12-15-4-6-16(7-5-15)18-2-1-3-20(23-18)28(25,26)24-10-8-17(9-11-24)19-13-22-14-27-19/h1-7,13-14,17H,8-12,21H2
InChIKeyIACMUFTVQPKVEC-UHFFFAOYSA-N
XLogP2.76
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine?
The IUPAC name of [4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine (CID 58211257) is [4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine.
What is the SMILES notation for [4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine?
The canonical SMILES for [4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine is NCc1ccc(-c2cccc(S(=O)(=O)N3CCC(c4cnco4)CC3)n2)cc1.
What is the InChIKey of [4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine?
The InChIKey is IACMUFTVQPKVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c21-12-15-4-6-16(7-5-15)18-2-1-3-20(23-18)28(25,26)24-10-8-17(9-11-24)19-13-22-14-27-19/h1-7,13-14,17H,8-12,21H2.
What are the key properties of [4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine?
[4-[6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]sulfonyl-2-pyridinyl]phenyl]methanamine has a molecular weight of 398.49 g/mol, XLogP of 2.76, 5 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]phenyl]methanamine is sourced from PubChem (CID 58211257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).