3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide

C11H17ClN2O3S — CID 91821155

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide
SMILESCSCCC(CO)NC(=O)CCc1cc(Cl)no1
InChIInChI=1S/C11H17ClN2O3S/c1-18-5-4-8(7-15)13-11(16)3-2-9-6-10(12)14-17-9/h6,8,15H,2-5,7H2,1H3,(H,13,16)
InChIKeyZOYAPMNHLFAVOP-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.49
Rot. Bonds8

About 3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide

3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide (PubChem CID 91821155) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide
PubChem CID91821155
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide
SMILESCSCCC(CO)NC(=O)CCc1cc(Cl)no1
InChIInChI=1S/C11H17ClN2O3S/c1-18-5-4-8(7-15)13-11(16)3-2-9-6-10(12)14-17-9/h6,8,15H,2-5,7H2,1H3,(H,13,16)
InChIKeyZOYAPMNHLFAVOP-UHFFFAOYSA-N
XLogP1.49
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide
CID 163090812
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 99577531
(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamic acid
CID 89486760
N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 91636635
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbutanamide
CID 110004531
2-[(5-ethylfuran-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711521
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 91822050
2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
CID 124861270
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
CID 124863370
3-(3-chlorophenyl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 51278371
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205470
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91822227

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide (CID 91821155) is 3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide is CSCCC(CO)NC(=O)CCc1cc(Cl)no1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is ZOYAPMNHLFAVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-18-5-4-8(7-15)13-11(16)3-2-9-6-10(12)14-17-9/h6,8,15H,2-5,7H2,1H3,(H,13,16).
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide?
3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide has a molecular weight of 292.79 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 91821155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).