(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide

C17H25N5O3S — CID 124989412

IUPAC(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1noc(C)c1-c1cc(C[C@H]2CCCN(S(=O)(=O)N(C)C)C2)ncn1
InChIInChI=1S/C17H25N5O3S/c1-12-17(13(2)25-20-12)16-9-15(18-11-19-16)8-14-6-5-7-22(10-14)26(23,24)21(3)4/h9,11,14H,5-8,10H2,1-4H3/t14-/m1/s1
InChIKeyOUDWFDTUPPJRPQ-CQSZACIVSA-N
MW379.49 g/mol
LogP1.81
Rot. Bonds5

About (3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide

(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 124989412) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is (3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID124989412
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Name(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1noc(C)c1-c1cc(C[C@H]2CCCN(S(=O)(=O)N(C)C)C2)ncn1
InChIInChI=1S/C17H25N5O3S/c1-12-17(13(2)25-20-12)16-9-15(18-11-19-16)8-14-6-5-7-22(10-14)26(23,24)21(3)4/h9,11,14H,5-8,10H2,1-4H3/t14-/m1/s1
InChIKeyOUDWFDTUPPJRPQ-CQSZACIVSA-N
XLogP1.81
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125008882
4-[6-[[1-(dimethylsulfamoyl)piperidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 110120399
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 124988744
2-amino-1-[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124990596
N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
CID 110099457
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110129119
4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 124974631
3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide
CID 175656733
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124941515
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110129263
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 110129186
[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]azepan-1-yl]-pyrimidin-4-ylmethanone
CID 110135483

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 124989412) is (3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide is Cc1noc(C)c1-c1cc(C[C@H]2CCCN(S(=O)(=O)N(C)C)C2)ncn1.
What is the InChIKey of (3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is OUDWFDTUPPJRPQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-12-17(13(2)25-20-12)16-9-15(18-11-19-16)8-14-6-5-7-22(10-14)26(23,24)21(3)4/h9,11,14H,5-8,10H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 379.49 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 124989412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).