N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C11H16N2O4S — CID 154789593

IUPACN-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NS(=O)(=O)CC2CCC2)o1
InChIInChI=1S/C11H16N2O4S/c1-7-10(17-8(2)12-7)11(14)13-18(15,16)6-9-4-3-5-9/h9H,3-6H2,1-2H3,(H,13,14)
InChIKeyHSUNKQDAIOXFIH-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.15
Rot. Bonds4

About N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 154789593) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID154789593
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NS(=O)(=O)CC2CCC2)o1
InChIInChI=1S/C11H16N2O4S/c1-7-10(17-8(2)12-7)11(14)13-18(15,16)6-9-4-3-5-9/h9H,3-6H2,1-2H3,(H,13,14)
InChIKeyHSUNKQDAIOXFIH-UHFFFAOYSA-N
XLogP1.15
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114147630
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113273913
2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 100638775
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide
CID 131924897
N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 106366658
N-(2-amino-2-cyclopropylethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 115301105
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119611691
2-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 81450618
N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114309103
N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114299594
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103890787
2,4-dimethyl-N-pyrrolidin-3-yl-1,3-oxazole-5-carboxamide
CID 81478965

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 154789593) is N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NS(=O)(=O)CC2CCC2)o1.
What is the InChIKey of N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is HSUNKQDAIOXFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7-10(17-8(2)12-7)11(14)13-18(15,16)6-9-4-3-5-9/h9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 154789593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).