N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide

C17H29N3O4S — CID 6473130

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)Nc2cc(C(C)(C)C)on2)C1
InChIInChI=1S/C17H29N3O4S/c1-5-6-10-25(22,23)20-9-7-8-13(12-20)16(21)18-15-11-14(24-19-15)17(2,3)4/h11,13H,5-10,12H2,1-4H3,(H,18,19,21)
InChIKeySBAZATNFVMAHOK-UHFFFAOYSA-N
MW371.50 g/mol
LogP2.75
Rot. Bonds6

About N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide (PubChem CID 6473130) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide
PubChem CID6473130
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)Nc2cc(C(C)(C)C)on2)C1
InChIInChI=1S/C17H29N3O4S/c1-5-6-10-25(22,23)20-9-7-8-13(12-20)16(21)18-15-11-14(24-19-15)17(2,3)4/h11,13H,5-10,12H2,1-4H3,(H,18,19,21)
InChIKeySBAZATNFVMAHOK-UHFFFAOYSA-N
XLogP2.75
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55798853
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
CID 70865040
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51955455
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55923041
N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 56522619
N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide
CID 86998115
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide (CID 6473130) is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide is CCCCS(=O)(=O)N1CCCC(C(=O)Nc2cc(C(C)(C)C)on2)C1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide?
The InChIKey is SBAZATNFVMAHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-5-6-10-25(22,23)20-9-7-8-13(12-20)16(21)18-15-11-14(24-19-15)17(2,3)4/h11,13H,5-10,12H2,1-4H3,(H,18,19,21).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide has a molecular weight of 371.50 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 6473130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).