3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide

C19H27N3O3S — CID 141081625

IUPAC3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H27N3O3S/c1-15-19(16(2)25-21-15)26(23,24)20-11-6-12-22-13-9-18(10-14-22)17-7-4-3-5-8-17/h3-5,7-8,18,20H,6,9-14H2,1-2H3
InChIKeyZMDHPYCTCRJARA-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.84
Rot. Bonds7

About 3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide (PubChem CID 141081625) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
PubChem CID141081625
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H27N3O3S/c1-15-19(16(2)25-21-15)26(23,24)20-11-6-12-22-13-9-18(10-14-22)17-7-4-3-5-8-17/h3-5,7-8,18,20H,6,9-14H2,1-2H3
InChIKeyZMDHPYCTCRJARA-UHFFFAOYSA-N
XLogP2.84
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 3765769
3,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]-1,2-oxazole-4-sulfonamide
CID 55681869
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6625085
N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 168832226
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 122278208
3,5-dimethyl-N-[2-(2-oxo-1-pyridinyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 75512081
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
3,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 51089443
3,5-dimethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 90619979
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
CID 21051144
3,5-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 40710414
N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39666367

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide (CID 141081625) is 3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is ZMDHPYCTCRJARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-15-19(16(2)25-21-15)26(23,24)20-11-6-12-22-13-9-18(10-14-22)17-7-4-3-5-8-17/h3-5,7-8,18,20H,6,9-14H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 377.51 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 141081625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).