1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea

C18H24N4O4S — CID 2810659

IUPAC1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
SMILESCc1noc(C)c1NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N4O4S/c1-13-17(14(2)26-21-13)20-18(23)19-12-15-8-10-22(11-9-15)27(24,25)16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3,(H2,19,20,23)
InChIKeyXATYXWKKTDEFAY-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.51
Rot. Bonds5

About 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea

1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea (PubChem CID 2810659) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
PubChem CID2810659
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
SMILESCc1noc(C)c1NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N4O4S/c1-13-17(14(2)26-21-13)20-18(23)19-12-15-8-10-22(11-9-15)27(24,25)16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3,(H2,19,20,23)
InChIKeyXATYXWKKTDEFAY-UHFFFAOYSA-N
XLogP2.51
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95326935
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
1-(3,5-dimethylphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521683
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide
CID 122152574
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
CID 60604892
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 139008193
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine
CID 110930259
4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide
CID 119310285
N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102736733
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
CID 119123184
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71935195

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea (CID 2810659) is 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea is Cc1noc(C)c1NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?
The InChIKey is XATYXWKKTDEFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-13-17(14(2)26-21-13)20-18(23)19-12-15-8-10-22(11-9-15)27(24,25)16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea has a molecular weight of 392.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 2810659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).