2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole

C14H18N4O3S — CID 125014070

IUPAC2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole
SMILESCS(=O)(=O)N1CCC[C@@H](Cc2cnc(-c3ncco3)cn2)C1
InChIInChI=1S/C14H18N4O3S/c1-22(19,20)18-5-2-3-11(10-18)7-12-8-17-13(9-16-12)14-15-4-6-21-14/h4,6,8-9,11H,2-3,5,7,10H2,1H3/t11-/m0/s1
InChIKeyWJNNSLDYAHKELL-NSHDSACASA-N
MW322.39 g/mol
LogP1.35
Rot. Bonds4

About 2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole

2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole (PubChem CID 125014070) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole
PubChem CID125014070
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole
SMILESCS(=O)(=O)N1CCC[C@@H](Cc2cnc(-c3ncco3)cn2)C1
InChIInChI=1S/C14H18N4O3S/c1-22(19,20)18-5-2-3-11(10-18)7-12-8-17-13(9-16-12)14-15-4-6-21-14/h4,6,8-9,11H,2-3,5,7,10H2,1H3/t11-/m0/s1
InChIKeyWJNNSLDYAHKELL-NSHDSACASA-N
XLogP1.35
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131565
2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124983638
2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole
CID 124976826
2-(5-methyl-1H-pyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124966971
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine
CID 110257244
1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110131561
(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124947593
4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804526
5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine
CID 110257368
2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole (CID 125014070) is 2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole is CS(=O)(=O)N1CCC[C@@H](Cc2cnc(-c3ncco3)cn2)C1.
What is the InChIKey of 2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole?
The InChIKey is WJNNSLDYAHKELL-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-22(19,20)18-5-2-3-11(10-18)7-12-8-17-13(9-16-12)14-15-4-6-21-14/h4,6,8-9,11H,2-3,5,7,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole?
2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole has a molecular weight of 322.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole is sourced from PubChem (CID 125014070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).