2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C15H15N3O3S — CID 2915817

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Sc1nc2ccccc2o1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H15N3O3S/c1-3-12(14(19)17-13-8-9(2)21-18-13)22-15-16-10-6-4-5-7-11(10)20-15/h4-8,12H,3H2,1-2H3,(H,17,18,19)
InChIKeySCLAWRTYVLMELF-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.63
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 2915817) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID2915817
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Sc1nc2ccccc2o1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H15N3O3S/c1-3-12(14(19)17-13-8-9(2)21-18-13)22-15-16-10-6-4-5-7-11(10)20-15/h4-8,12H,3H2,1-2H3,(H,17,18,19)
InChIKeySCLAWRTYVLMELF-UHFFFAOYSA-N
XLogP3.63
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 2915817) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CCC(Sc1nc2ccccc2o1)C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is SCLAWRTYVLMELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-3-12(14(19)17-13-8-9(2)21-18-13)22-15-16-10-6-4-5-7-11(10)20-15/h4-8,12H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 317.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 2915817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).