3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide

C15H20N4O4S — CID 91626338

IUPAC3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C15H20N4O4S/c1-10-14(11(2)23-18-10)24(20,21)19-12-4-6-13(7-5-12)22-15-16-8-3-9-17-15/h3,8-9,12-13,19H,4-7H2,1-2H3
InChIKeyDXZXKXPLNYPOKN-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.75
Rot. Bonds5

About 3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide (PubChem CID 91626338) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
PubChem CID91626338
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C15H20N4O4S/c1-10-14(11(2)23-18-10)24(20,21)19-12-4-6-13(7-5-12)22-15-16-8-3-9-17-15/h3,8-9,12-13,19H,4-7H2,1-2H3
InChIKeyDXZXKXPLNYPOKN-UHFFFAOYSA-N
XLogP1.75
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide
CID 91626349
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopropanesulfonamide
CID 91626345
3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207
N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide
CID 90633512
N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95984012
N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide
CID 91626336
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
CID 20607230
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53185647
N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 56882966

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide (CID 91626338) is 3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is DXZXKXPLNYPOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-10-14(11(2)23-18-10)24(20,21)19-12-4-6-13(7-5-12)22-15-16-8-3-9-17-15/h3,8-9,12-13,19H,4-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 352.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 91626338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).