N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide

C18H23N3O4S — CID 75476106

IUPACN-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide
SMILESCC(C)c1cc(C(=O)N2CCCC(S(=O)(=O)Nc3ccccc3)C2)on1
InChIInChI=1S/C18H23N3O4S/c1-13(2)16-11-17(25-19-16)18(22)21-10-6-9-15(12-21)26(23,24)20-14-7-4-3-5-8-14/h3-5,7-8,11,13,15,20H,6,9-10,12H2,1-2H3
InChIKeyKMMFNAJRZURGQT-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.84
Rot. Bonds5

About N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide

N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide (PubChem CID 75476106) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide
PubChem CID75476106
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide
SMILESCC(C)c1cc(C(=O)N2CCCC(S(=O)(=O)Nc3ccccc3)C2)on1
InChIInChI=1S/C18H23N3O4S/c1-13(2)16-11-17(25-19-16)18(22)21-10-6-9-15(12-21)26(23,24)20-14-7-4-3-5-8-14/h3-5,7-8,11,13,15,20H,6,9-10,12H2,1-2H3
InChIKeyKMMFNAJRZURGQT-UHFFFAOYSA-N
XLogP2.84
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167740
N-phenyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 75476115
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 110119492
(3S)-1-(imidazo[1,5-a]pyridine-7-carbonyl)-N-phenylpiperidine-3-sulfonamide
CID 97348345
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95376983
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide
CID 97348370
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97271568
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124992269
2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide
CID 121279756
[3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 127246886
(3R)-1-(cyclopentanecarbonyl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-sulfonamide
CID 97348626
[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 70756243

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide?
The IUPAC name of N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide (CID 75476106) is N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide?
The canonical SMILES for N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide is CC(C)c1cc(C(=O)N2CCCC(S(=O)(=O)Nc3ccccc3)C2)on1.
What is the InChIKey of N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide?
The InChIKey is KMMFNAJRZURGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13(2)16-11-17(25-19-16)18(22)21-10-6-9-15(12-21)26(23,24)20-14-7-4-3-5-8-14/h3-5,7-8,11,13,15,20H,6,9-10,12H2,1-2H3.
What are the key properties of N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide?
N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide is sourced from PubChem (CID 75476106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).