2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide

C18H31N3O4S — CID 53118750

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(C)C(=O)NCCC(C)C)CC1
InChIInChI=1S/C18H31N3O4S/c1-12(2)6-9-19-18(22)13(3)16-7-10-21(11-8-16)26(23,24)17-14(4)20-25-15(17)5/h12-13,16H,6-11H2,1-5H3,(H,19,22)
InChIKeyQHOQRDLOKZINSO-UHFFFAOYSA-N
MW385.53 g/mol
LogP2.49
Rot. Bonds7

About 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide (PubChem CID 53118750) has the molecular formula C18H31N3O4S and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide
PubChem CID53118750
Molecular FormulaC18H31N3O4S
Molecular Weight385.53 g/mol
Exact Mass385.20
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(C)C(=O)NCCC(C)C)CC1
InChIInChI=1S/C18H31N3O4S/c1-12(2)6-9-19-18(22)13(3)16-7-10-21(11-8-16)26(23,24)17-14(4)20-25-15(17)5/h12-13,16H,6-11H2,1-5H3,(H,19,22)
InChIKeyQHOQRDLOKZINSO-UHFFFAOYSA-N
XLogP2.49
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95088604
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propan-2-ylpropanamide
CID 53118745
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 95088619
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(furan-2-yl)ethyl]propanamide
CID 53118789
(2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
CID 95088526
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
(2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
CID 95088645
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propylacetamide
CID 53118695
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 53118710
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide (CID 53118750) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(C)C(=O)NCCC(C)C)CC1.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is QHOQRDLOKZINSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S/c1-12(2)6-9-19-18(22)13(3)16-7-10-21(11-8-16)26(23,24)17-14(4)20-25-15(17)5/h12-13,16H,6-11H2,1-5H3,(H,19,22).
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 385.53 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 53118750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).