3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide

C16H20N2O3S — CID 42949928

IUPAC3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1CCCc2ccccc21
InChIInChI=1S/C16H20N2O3S/c1-11-16(12(2)21-18-11)22(19,20)17-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,14,17H,5,7-8,10H2,1-2H3
InChIKeyOXBXEGBPOZLDOT-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.69
Rot. Bonds4

About 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide (PubChem CID 42949928) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide
PubChem CID42949928
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1CCCc2ccccc21
InChIInChI=1S/C16H20N2O3S/c1-11-16(12(2)21-18-11)22(19,20)17-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,14,17H,5,7-8,10H2,1-2H3
InChIKeyOXBXEGBPOZLDOT-UHFFFAOYSA-N
XLogP2.69
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[[(4R)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94640718
3,5-dimethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 90619979
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 35805706
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 34142954
N-[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfamoyl)phenyl]acetamide
CID 42949923
(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 41139395
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 7092142
3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119974164
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 60976106
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 95064437
3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192827
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110615311

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide (CID 42949928) is 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC1CCCc2ccccc21.
What is the InChIKey of 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is OXBXEGBPOZLDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11-16(12(2)21-18-11)22(19,20)17-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,14,17H,5,7-8,10H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 42949928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).