2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C16H18N4O2S — CID 108806066

IUPAC2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cc2noc3cc(C)cc(C)c23)s1
InChIInChI=1S/C16H18N4O2S/c1-4-5-14-18-19-16(23-14)17-13(21)8-11-15-10(3)6-9(2)7-12(15)22-20-11/h6-7H,4-5,8H2,1-3H3,(H,17,19,21)
InChIKeyDBXATUYLHBSWSP-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.43
Rot. Bonds5

About 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 108806066) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID108806066
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cc2noc3cc(C)cc(C)c23)s1
InChIInChI=1S/C16H18N4O2S/c1-4-5-14-18-19-16(23-14)17-13(21)8-11-15-10(3)6-9(2)7-12(15)22-20-11/h6-7H,4-5,8H2,1-3H3,(H,17,19,21)
InChIKeyDBXATUYLHBSWSP-UHFFFAOYSA-N
XLogP3.43
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 108803255
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108726619
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805976
ethyl 2-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 108739233
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 108794428
N-(4-bromo-2-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805970
N-(4-bromo-3-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805971
ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794230
N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794252
diethyl 2-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108739499
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794386

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 108806066) is 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)Cc2noc3cc(C)cc(C)c23)s1.
What is the InChIKey of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is DBXATUYLHBSWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-4-5-14-18-19-16(23-14)17-13(21)8-11-15-10(3)6-9(2)7-12(15)22-20-11/h6-7H,4-5,8H2,1-3H3,(H,17,19,21).
What are the key properties of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 108806066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).