N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H23N3O4S — CID 110408957

IUPACN-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(N2CCOCC2(C)C)cc1
InChIInChI=1S/C17H23N3O4S/c1-12-16(13(2)24-18-12)25(21,22)19-14-5-7-15(8-6-14)20-9-10-23-11-17(20,3)4/h5-8,19H,9-11H2,1-4H3
InChIKeyOCNRTTDOIYFEAQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.71
Rot. Bonds4

About N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 110408957) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID110408957
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(N2CCOCC2(C)C)cc1
InChIInChI=1S/C17H23N3O4S/c1-12-16(13(2)24-18-12)25(21,22)19-14-5-7-15(8-6-14)20-9-10-23-11-17(20,3)4/h5-8,19H,9-11H2,1-4H3
InChIKeyOCNRTTDOIYFEAQ-UHFFFAOYSA-N
XLogP2.71
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 110408957) is N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(N2CCOCC2(C)C)cc1.
What is the InChIKey of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is OCNRTTDOIYFEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12-16(13(2)24-18-12)25(21,22)19-14-5-7-15(8-6-14)20-9-10-23-11-17(20,3)4/h5-8,19H,9-11H2,1-4H3.
What are the key properties of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110408957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).