N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H19N5O3S — CID 11957196

IUPACN-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1nnc(N2CCCCCC2)s1
InChIInChI=1S/C17H19N5O3S/c23-14(11-22-12-7-3-4-8-13(12)25-17(22)24)18-15-19-20-16(26-15)21-9-5-1-2-6-10-21/h3-4,7-8H,1-2,5-6,9-11H2,(H,18,19,23)
InChIKeyRFRKAEZFGDUHOZ-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.47
Rot. Bonds4

About N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 11957196) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID11957196
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1nnc(N2CCCCCC2)s1
InChIInChI=1S/C17H19N5O3S/c23-14(11-22-12-7-3-4-8-13(12)25-17(22)24)18-15-19-20-16(26-15)21-9-5-1-2-6-10-21/h3-4,7-8H,1-2,5-6,9-11H2,(H,18,19,23)
InChIKeyRFRKAEZFGDUHOZ-UHFFFAOYSA-N
XLogP2.47
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3(2H)-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2201162
N-[5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 5308275
N-[5-(2-Methylpiperidin-1-YL)-1,3,4-thiadiazol-2-YL]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL)acetamide
CID 5308448
N-{5-[Bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-YL}-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL)acetamide
CID 6620326
3-[5-(Azepan-1-YL)-1,3,4-thiadiazol-2-YL]-1-(2-ethoxyphenyl)urea
CID 16016921
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
CID 2542352
2-[[5-(2-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 2611782
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
CID 3163777
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)acetamide
CID 4193835
N-[5-(4-Methylpiperidin-1-YL)-1,3,4-thiadiazol-2-YL]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL)acetamide
CID 11957197
N-(5-Methyl-[1,3,4]thiadiazol-2-yl)-3-(2-oxo-benzooxazol-3-yl)-propionamide
CID 3163797
3-[2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,3-benzoxazol-2-one
CID 40009084

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 11957196) is N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)Nc1nnc(N2CCCCCC2)s1.
What is the InChIKey of N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is RFRKAEZFGDUHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c23-14(11-22-12-7-3-4-8-13(12)25-17(22)24)18-15-19-20-16(26-15)21-9-5-1-2-6-10-21/h3-4,7-8H,1-2,5-6,9-11H2,(H,18,19,23).
What are the key properties of N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 373.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 11957196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).