N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide

C10H16N2O4S — CID 138018172

IUPACN-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H16N2O4S/c1-8-10(16-7-11-8)5-12-17(13,14)6-9-3-2-4-15-9/h7,9,12H,2-6H2,1H3
InChIKeyOLTGASQLWYDQTA-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.58
Rot. Bonds5

About N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide

N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 138018172) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID138018172
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC NameN-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H16N2O4S/c1-8-10(16-7-11-8)5-12-17(13,14)6-9-3-2-4-15-9/h7,9,12H,2-6H2,1H3
InChIKeyOLTGASQLWYDQTA-UHFFFAOYSA-N
XLogP0.58
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(bromomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114298048
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-[(4-cyanophenyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 62733317
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 124731317
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 99807012

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide (CID 138018172) is N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide is Cc1ncoc1CNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is OLTGASQLWYDQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-8-10(16-7-11-8)5-12-17(13,14)6-9-3-2-4-15-9/h7,9,12H,2-6H2,1H3.
What are the key properties of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 260.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 138018172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).