N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide

C15H26N2O4S — CID 126835318

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide
SMILESCOCC1(CS(=O)(=O)NC(C)Cc2c(C)noc2C)CCC1
InChIInChI=1S/C15H26N2O4S/c1-11(8-14-12(2)16-21-13(14)3)17-22(18,19)10-15(9-20-4)6-5-7-15/h11,17H,5-10H2,1-4H3
InChIKeyWWBDVEDAVXMHLN-UHFFFAOYSA-N
MW330.45 g/mol
LogP1.96
Rot. Bonds8

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide (PubChem CID 126835318) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide
PubChem CID126835318
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide
SMILESCOCC1(CS(=O)(=O)NC(C)Cc2c(C)noc2C)CCC1
InChIInChI=1S/C15H26N2O4S/c1-11(8-14-12(2)16-21-13(14)3)17-22(18,19)10-15(9-20-4)6-5-7-15/h11,17H,5-10H2,1-4H3
InChIKeyWWBDVEDAVXMHLN-UHFFFAOYSA-N
XLogP1.96
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide
CID 126823133
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide
CID 166259131
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine
CID 115722279
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,3-thiazole-2-sulfonamide
CID 126800198
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120887952
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide
CID 126823450
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide
CID 71868178
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120896778
N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99697784
tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate
CID 84597373
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 166211109

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide (CID 126835318) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide is COCC1(CS(=O)(=O)NC(C)Cc2c(C)noc2C)CCC1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide?
The InChIKey is WWBDVEDAVXMHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-11(8-14-12(2)16-21-13(14)3)17-22(18,19)10-15(9-20-4)6-5-7-15/h11,17H,5-10H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide is sourced from PubChem (CID 126835318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).