N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide

C12H15N3O3S — CID 36764449

IUPACN-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCC(C)CNC(=O)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C12H15N3O3S/c1-8(2)6-13-10(16)7-15-12(17)18-11(14-15)9-4-3-5-19-9/h3-5,8H,6-7H2,1-2H3,(H,13,16)
InChIKeyDTWYLZSUJKUANT-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.34
Rot. Bonds5

About N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide

N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 36764449) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID36764449
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCC(C)CNC(=O)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C12H15N3O3S/c1-8(2)6-13-10(16)7-15-12(17)18-11(14-15)9-4-3-5-19-9/h3-5,8H,6-7H2,1-2H3,(H,13,16)
InChIKeyDTWYLZSUJKUANT-UHFFFAOYSA-N
XLogP1.34
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40790864
N-(2-methyl-1-phenylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 51288245
N-[(4-methoxyphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550291
2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27144414
3-methyl-N-[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]butanamide
CID 27144372
N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 60556897
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 30778648
N-(benzylcarbamoyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550672
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylphenyl)acetamide
CID 26566443
2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide
CID 126470275
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
CID 46959372
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 30778709

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide (CID 36764449) is N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide is CC(C)CNC(=O)Cn1nc(-c2cccs2)oc1=O.
What is the InChIKey of N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is DTWYLZSUJKUANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8(2)6-13-10(16)7-15-12(17)18-11(14-15)9-4-3-5-19-9/h3-5,8H,6-7H2,1-2H3,(H,13,16).
What are the key properties of N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 281.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 36764449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).