(2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide

C14H22N2O2S — CID 100635405

IUPAC(2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESCCN(C(=O)[C@H](C)Sc1ncco1)C1CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-3-16(12-7-5-4-6-8-12)13(17)11(2)19-14-15-9-10-18-14/h9-12H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyWBAZLCOTSOIHJM-NSHDSACASA-N
MW282.41 g/mol
LogP3.34
Rot. Bonds5

About (2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide

(2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide (PubChem CID 100635405) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
PubChem CID100635405
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESCCN(C(=O)[C@H](C)Sc1ncco1)C1CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-3-16(12-7-5-4-6-8-12)13(17)11(2)19-14-15-9-10-18-14/h9-12H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyWBAZLCOTSOIHJM-NSHDSACASA-N
XLogP3.34
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide?
The IUPAC name of (2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide (CID 100635405) is (2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide is CCN(C(=O)[C@H](C)Sc1ncco1)C1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide?
The InChIKey is WBAZLCOTSOIHJM-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-16(12-7-5-4-6-8-12)13(17)11(2)19-14-15-9-10-18-14/h9-12H,3-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide?
(2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide has a molecular weight of 282.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 100635405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).