N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C17H20N4O3S — CID 18081150

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCCCc1nnc(NC(=O)CCCn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C17H20N4O3S/c1-2-3-10-15-19-20-16(25-15)18-14(22)9-6-11-21-12-7-4-5-8-13(12)24-17(21)23/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,18,20,22)
InChIKeyZYPCSBMEHITJMP-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.21
Rot. Bonds8

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 18081150) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID18081150
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCCCc1nnc(NC(=O)CCCn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C17H20N4O3S/c1-2-3-10-15-19-20-16(25-15)18-14(22)9-6-11-21-12-7-4-5-8-13(12)24-17(21)23/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,18,20,22)
InChIKeyZYPCSBMEHITJMP-UHFFFAOYSA-N
XLogP3.21
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 18081150) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CCCCc1nnc(NC(=O)CCCn2c(=O)oc3ccccc32)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is ZYPCSBMEHITJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-2-3-10-15-19-20-16(25-15)18-14(22)9-6-11-21-12-7-4-5-8-13(12)24-17(21)23/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,18,20,22).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 360.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 18081150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).