2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide

C13H23N3O2S — CID 106925079

IUPAC2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide
SMILESCc1coc(SCCCC(C)(NC(C)C)C(N)=O)n1
InChIInChI=1S/C13H23N3O2S/c1-9(2)16-13(4,11(14)17)6-5-7-19-12-15-10(3)8-18-12/h8-9,16H,5-7H2,1-4H3,(H2,14,17)
InChIKeyVAYCTLWLHUUXPO-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.10
Rot. Bonds8

About 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide

2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide (PubChem CID 106925079) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound Name2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide
PubChem CID106925079
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide
SMILESCc1coc(SCCCC(C)(NC(C)C)C(N)=O)n1
InChIInChI=1S/C13H23N3O2S/c1-9(2)16-13(4,11(14)17)6-5-7-19-12-15-10(3)8-18-12/h8-9,16H,5-7H2,1-4H3,(H2,14,17)
InChIKeyVAYCTLWLHUUXPO-UHFFFAOYSA-N
XLogP2.10
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide?
The IUPAC name of 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide (CID 106925079) is 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide.
What is the SMILES notation for 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide?
The canonical SMILES for 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide is Cc1coc(SCCCC(C)(NC(C)C)C(N)=O)n1.
What is the InChIKey of 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide?
The InChIKey is VAYCTLWLHUUXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-9(2)16-13(4,11(14)17)6-5-7-19-12-15-10(3)8-18-12/h8-9,16H,5-7H2,1-4H3,(H2,14,17).
What are the key properties of 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide?
2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide has a molecular weight of 285.41 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 106925079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).