[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone

C14H22N4O5S — CID 119694698

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C14H22N4O5S/c1-10-13(11(2)23-16-10)24(20,21)18-6-4-17(5-7-18)14(19)12-9-22-8-3-15-12/h12,15H,3-9H2,1-2H3
InChIKeySBENIOMBEMZHSR-UHFFFAOYSA-N
MW358.42 g/mol
LogP-0.89
Rot. Bonds3

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone (PubChem CID 119694698) has the molecular formula C14H22N4O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone
PubChem CID119694698
Molecular FormulaC14H22N4O5S
Molecular Weight358.42 g/mol
Exact Mass358.13
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C14H22N4O5S/c1-10-13(11(2)23-16-10)24(20,21)18-6-4-17(5-7-18)14(19)12-9-22-8-3-15-12/h12,15H,3-9H2,1-2H3
InChIKeySBENIOMBEMZHSR-UHFFFAOYSA-N
XLogP-0.89
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone (CID 119694698) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone is Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2COCCN2)CC1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The InChIKey is SBENIOMBEMZHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5S/c1-10-13(11(2)23-16-10)24(20,21)18-6-4-17(5-7-18)14(19)12-9-22-8-3-15-12/h12,15H,3-9H2,1-2H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone has a molecular weight of 358.42 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone is sourced from PubChem (CID 119694698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).