N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C12H17N3O2S — CID 95131670

IUPACN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCC1=NO[C@H](CNC(=O)Cc2csc(C)n2)C1
InChIInChI=1S/C12H17N3O2S/c1-3-9-4-11(17-15-9)6-13-12(16)5-10-7-18-8(2)14-10/h7,11H,3-6H2,1-2H3,(H,13,16)/t11-/m0/s1
InChIKeyOCWRZZWPIUPVPA-NSHDSACASA-N
MW267.35 g/mol
LogP1.67
Rot. Bonds5

About N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 95131670) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID95131670
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCC1=NO[C@H](CNC(=O)Cc2csc(C)n2)C1
InChIInChI=1S/C12H17N3O2S/c1-3-9-4-11(17-15-9)6-13-12(16)5-10-7-18-8(2)14-10/h7,11H,3-6H2,1-2H3,(H,13,16)/t11-/m0/s1
InChIKeyOCWRZZWPIUPVPA-NSHDSACASA-N
XLogP1.67
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 95131670) is N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CCC1=NO[C@H](CNC(=O)Cc2csc(C)n2)C1.
What is the InChIKey of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is OCWRZZWPIUPVPA-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-9-4-11(17-15-9)6-13-12(16)5-10-7-18-8(2)14-10/h7,11H,3-6H2,1-2H3,(H,13,16)/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 267.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 95131670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).