(3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

C11H17N3O4S — CID 43060282

IUPAC(3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)on1
InChIInChI=1S/C11H17N3O4S/c1-9-8-10(18-12-9)11(15)13-4-3-5-14(7-6-13)19(2,16)17/h8H,3-7H2,1-2H3
InChIKeyOFKYHCXSAAGFPT-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.09
Rot. Bonds2

About (3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

(3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone (PubChem CID 43060282) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
PubChem CID43060282
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)on1
InChIInChI=1S/C11H17N3O4S/c1-9-8-10(18-12-9)11(15)13-4-3-5-14(7-6-13)19(2,16)17/h8H,3-7H2,1-2H3
InChIKeyOFKYHCXSAAGFPT-UHFFFAOYSA-N
XLogP0.09
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 27757740
(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 55972850
N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 75538104
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
furan-3-yl-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32532619
(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63392780
(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 74246591
(3-methyl-1,2-oxazol-5-yl)-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 94021683

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone (CID 43060282) is (3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone is Cc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone?
The InChIKey is OFKYHCXSAAGFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-9-8-10(18-12-9)11(15)13-4-3-5-14(7-6-13)19(2,16)17/h8H,3-7H2,1-2H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone?
(3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone has a molecular weight of 287.34 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 43060282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).