N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C10H18N2O5S — CID 114211604

IUPACN-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOCCC(CO)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C10H18N2O5S/c1-7-10(8(2)17-11-7)18(14,15)12-9(6-13)4-5-16-3/h9,12-13H,4-6H2,1-3H3
InChIKeyRQZXNWYBDALZSI-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.03
Rot. Bonds7

About N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 114211604) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID114211604
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC NameN-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOCCC(CO)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C10H18N2O5S/c1-7-10(8(2)17-11-7)18(14,15)12-9(6-13)4-5-16-3/h9,12-13H,4-6H2,1-3H3
InChIKeyRQZXNWYBDALZSI-UHFFFAOYSA-N
XLogP-0.03
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5005523
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700
N-[(3S,4R)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 133130682
N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 62645833
N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119993044
N-(1-hydroxy-4-methoxybutan-2-yl)-2-methylbenzenesulfonamide
CID 114211608
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113317283
N-[(2R)-1-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362
(2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide
CID 97311830
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
CID 108574145
N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 162872561
(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119243729

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 114211604) is N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COCCC(CO)NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is RQZXNWYBDALZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-7-10(8(2)17-11-7)18(14,15)12-9(6-13)4-5-16-3/h9,12-13H,4-6H2,1-3H3.
What are the key properties of N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 278.33 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 114211604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).