[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

C14H20N4O5S — CID 90511562

IUPAC[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CC(C(=O)N3CCN(S(C)(=O)=O)CC3)C2)no1
InChIInChI=1S/C14H20N4O5S/c1-10-7-12(15-23-10)14(20)17-8-11(9-17)13(19)16-3-5-18(6-4-16)24(2,21)22/h7,11H,3-6,8-9H2,1-2H3
InChIKeyCTAQARFXTPUQGE-UHFFFAOYSA-N
MW356.40 g/mol
LogP-0.84
Rot. Bonds3

About [1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 90511562) has the molecular formula C14H20N4O5S and a molecular weight of 356.40 g/mol. Its IUPAC name is [1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID90511562
Molecular FormulaC14H20N4O5S
Molecular Weight356.40 g/mol
Exact Mass356.12
IUPAC Name[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CC(C(=O)N3CCN(S(C)(=O)=O)CC3)C2)no1
InChIInChI=1S/C14H20N4O5S/c1-10-7-12(15-23-10)14(20)17-8-11(9-17)13(19)16-3-5-18(6-4-16)24(2,21)22/h7,11H,3-6,8-9H2,1-2H3
InChIKeyCTAQARFXTPUQGE-UHFFFAOYSA-N
XLogP-0.84
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 75538104
(2S,3aS,6aS)-N-methyl-5-(5-methyl-1,2-oxazole-3-carbonyl)-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 124893459
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110328587
[(3R)-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 95554331
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone
CID 90511576
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
(5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66201861
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
N-cyclohexyl-N-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511305

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (CID 90511562) is [1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CC(C(=O)N3CCN(S(C)(=O)=O)CC3)C2)no1.
What is the InChIKey of [1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is CTAQARFXTPUQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5S/c1-10-7-12(15-23-10)14(20)17-8-11(9-17)13(19)16-3-5-18(6-4-16)24(2,21)22/h7,11H,3-6,8-9H2,1-2H3.
What are the key properties of [1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 356.40 g/mol, XLogP of -0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 90511562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).