3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide

C12H19ClN2O3 — CID 124864194

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)CCc1cc(Cl)no1
InChIInChI=1S/C12H19ClN2O3/c1-3-8(2)10(7-16)14-12(17)5-4-9-6-11(13)15-18-9/h6,8,10,16H,3-5,7H2,1-2H3,(H,14,17)/t8-,10+/m0/s1
InChIKeyWYZJRIXDJBRFRT-WCBMZHEXSA-N
MW274.75 g/mol
LogP1.78
Rot. Bonds7

About 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide

3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide (PubChem CID 124864194) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide
PubChem CID124864194
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)CCc1cc(Cl)no1
InChIInChI=1S/C12H19ClN2O3/c1-3-8(2)10(7-16)14-12(17)5-4-9-6-11(13)15-18-9/h6,8,10,16H,3-5,7H2,1-2H3,(H,14,17)/t8-,10+/m0/s1
InChIKeyWYZJRIXDJBRFRT-WCBMZHEXSA-N
XLogP1.78
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide (CID 124864194) is 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide is CC[C@H](C)[C@@H](CO)NC(=O)CCc1cc(Cl)no1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide?
The InChIKey is WYZJRIXDJBRFRT-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H19ClN2O3/c1-3-8(2)10(7-16)14-12(17)5-4-9-6-11(13)15-18-9/h6,8,10,16H,3-5,7H2,1-2H3,(H,14,17)/t8-,10+/m0/s1.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide?
3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide has a molecular weight of 274.75 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]propanamide is sourced from PubChem (CID 124864194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).