N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide

C9H16N2O4S — CID 106377949

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide
SMILESCc1nc(CNS(=O)(=O)CCCO)oc1C
InChIInChI=1S/C9H16N2O4S/c1-7-8(2)15-9(11-7)6-10-16(13,14)5-3-4-12/h10,12H,3-6H2,1-2H3
InChIKeyRKAZHBYASVMARN-UHFFFAOYSA-N
MW248.30 g/mol
LogP0.09
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide (PubChem CID 106377949) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide
PubChem CID106377949
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide
SMILESCc1nc(CNS(=O)(=O)CCCO)oc1C
InChIInChI=1S/C9H16N2O4S/c1-7-8(2)15-9(11-7)6-10-16(13,14)5-3-4-12/h10,12H,3-6H2,1-2H3
InChIKeyRKAZHBYASVMARN-UHFFFAOYSA-N
XLogP0.09
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide
CID 114181064
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 106373825
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 106377917
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide
CID 79238653
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide
CID 106336432
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47359122
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-nitrophenyl)methanesulfonamide
CID 86825318
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106377947
4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86825342
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106369295
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 106373822

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide (CID 106377949) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide is Cc1nc(CNS(=O)(=O)CCCO)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide?
The InChIKey is RKAZHBYASVMARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-7-8(2)15-9(11-7)6-10-16(13,14)5-3-4-12/h10,12H,3-6H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide has a molecular weight of 248.30 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide is sourced from PubChem (CID 106377949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).