N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide

C19H32N4O4S — CID 26431718

IUPACN-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NC2CCCCCCC2)CC1
InChIInChI=1S/C19H32N4O4S/c1-15-19(16(2)27-21-15)28(25,26)23-12-10-22(11-13-23)14-18(24)20-17-8-6-4-3-5-7-9-17/h17H,3-14H2,1-2H3,(H,20,24)
InChIKeyWEMDNGLBFBKXOS-UHFFFAOYSA-N
MW412.56 g/mol
LogP1.83
Rot. Bonds5

About N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide

N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide (PubChem CID 26431718) has the molecular formula C19H32N4O4S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide
PubChem CID26431718
Molecular FormulaC19H32N4O4S
Molecular Weight412.56 g/mol
Exact Mass412.21
IUPAC NameN-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NC2CCCCCCC2)CC1
InChIInChI=1S/C19H32N4O4S/c1-15-19(16(2)27-21-15)28(25,26)23-12-10-22(11-13-23)14-18(24)20-17-8-6-4-3-5-7-9-17/h17H,3-14H2,1-2H3,(H,20,24)
InChIKeyWEMDNGLBFBKXOS-UHFFFAOYSA-N
XLogP1.83
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide
CID 24632398
(2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
CID 95088526
2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetamide
CID 108558954
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
N-cyclopentyl-4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazine-1-carboxamide
CID 53118822
tert-butyl N-[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558875
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559543
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108560873
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560004
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylazetidine-1-carboxamide
CID 167767753
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide (CID 26431718) is N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide is Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NC2CCCCCCC2)CC1.
What is the InChIKey of N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide?
The InChIKey is WEMDNGLBFBKXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4S/c1-15-19(16(2)27-21-15)28(25,26)23-12-10-22(11-13-23)14-18(24)20-17-8-6-4-3-5-7-9-17/h17H,3-14H2,1-2H3,(H,20,24).
What are the key properties of N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide?
N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide has a molecular weight of 412.56 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 26431718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).