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

C14H24N4O4S — CID 97314235

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
SMILESCc1noc(C)c1CN(C)C(=O)N[C@H]1CCCN(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)/t12-/m0/s1
InChIKeyFCHOTGIUYJAUIQ-LBPRGKRZSA-N
MW344.44 g/mol
LogP0.86
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea (PubChem CID 97314235) 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-[(3S)-1-methylsulfonylpiperidin-3-yl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
PubChem CID97314235
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
SMILESCc1noc(C)c1CN(C)C(=O)N[C@H]1CCCN(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)/t12-/m0/s1
InChIKeyFCHOTGIUYJAUIQ-LBPRGKRZSA-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

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

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94442857
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
CID 47909658
1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47765815
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide
CID 94649268
1-(dicyclopropylmethyl)-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 49478413
3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94097246
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053931
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053929
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide
CID 47765427
N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 47910461
ethyl N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 94154330

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea (CID 97314235) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea is Cc1noc(C)c1CN(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea?
The InChIKey is FCHOTGIUYJAUIQ-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-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-[(3S)-1-methylsulfonylpiperidin-3-yl]urea is sourced from PubChem (CID 97314235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).