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

C14H24N4O4S — CID 47766190

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea
SMILESCc1noc(C)c1CN(C)C(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H24N4O4S/c1-10-13(11(2)22-16-10)9-17(3)14(19)15-12-6-5-7-18(8-12)23(4,20)21/h12H,5-9H2,1-4H3,(H,15,19)
InChIKeyFCHOTGIUYJAUIQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP0.86
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea (PubChem CID 47766190) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea
PubChem CID47766190
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea
SMILESCc1noc(C)c1CN(C)C(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H24N4O4S/c1-10-13(11(2)22-16-10)9-17(3)14(19)15-12-6-5-7-18(8-12)23(4,20)21/h12H,5-9H2,1-4H3,(H,15,19)
InChIKeyFCHOTGIUYJAUIQ-UHFFFAOYSA-N
XLogP0.86
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea (CID 47766190) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea is Cc1noc(C)c1CN(C)C(=O)NC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
The InChIKey is FCHOTGIUYJAUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-10-13(11(2)22-16-10)9-17(3)14(19)15-12-6-5-7-18(8-12)23(4,20)21/h12H,5-9H2,1-4H3,(H,15,19).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea has a molecular weight of 344.44 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea is sourced from PubChem (CID 47766190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).