2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C9H14N2O4S — CID 79682116

IUPAC2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CSCC(O)CO)on1
InChIInChI=1S/C9H14N2O4S/c1-6-2-9(15-11-6)10-8(14)5-16-4-7(13)3-12/h2,7,12-13H,3-5H2,1H3,(H,10,14)
InChIKeySJIZTNDQHTZLLB-UHFFFAOYSA-N
MW246.29 g/mol
LogP0.01
Rot. Bonds6

About 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 79682116) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID79682116
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CSCC(O)CO)on1
InChIInChI=1S/C9H14N2O4S/c1-6-2-9(15-11-6)10-8(14)5-16-4-7(13)3-12/h2,7,12-13H,3-5H2,1H3,(H,10,14)
InChIKeySJIZTNDQHTZLLB-UHFFFAOYSA-N
XLogP0.01
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 66232131
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105148
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
CID 79683189
2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 49153538
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
N-(3-methyl-1,2-oxazol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 47138005
N-(2-amino-4-methylphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79681828
2-hydroxy-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 131132198
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 81071258
2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 43440631

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 79682116) is 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CSCC(O)CO)on1.
What is the InChIKey of 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is SJIZTNDQHTZLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-6-2-9(15-11-6)10-8(14)5-16-4-7(13)3-12/h2,7,12-13H,3-5H2,1H3,(H,10,14).
What are the key properties of 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 246.29 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 79682116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).