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

C11H17ClN2O3S — CID 124864688

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
SMILESCSCC[C@H](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)/t8-/m1/s1
InChIKeyZOYAPMNHLFAVOP-MRVPVSSYSA-N
MW292.79 g/mol
LogP1.49
Rot. Bonds8

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

3-(3-chloro-1,2-oxazol-5-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide (PubChem CID 124864688) 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-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
PubChem CID124864688
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
SMILESCSCC[C@H](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)/t8-/m1/s1
InChIKeyZOYAPMNHLFAVOP-MRVPVSSYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide (CID 124864688) is 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide is CSCC[C@H](CO)NC(=O)CCc1cc(Cl)no1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide?
The InChIKey is ZOYAPMNHLFAVOP-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide?
3-(3-chloro-1,2-oxazol-5-yl)-N-[(2R)-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-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide is sourced from PubChem (CID 124864688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).