N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide

C13H17N3O2S — CID 70787614

IUPACN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide
SMILESCC(C)c1nc(CN(C)C(=O)Cc2ccsc2)no1
InChIInChI=1S/C13H17N3O2S/c1-9(2)13-14-11(15-18-13)7-16(3)12(17)6-10-4-5-19-8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyAJUJSNFMLIVLLZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.46
Rot. Bonds5

About N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide

N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 70787614) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide
PubChem CID70787614
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide
SMILESCC(C)c1nc(CN(C)C(=O)Cc2ccsc2)no1
InChIInChI=1S/C13H17N3O2S/c1-9(2)13-14-11(15-18-13)7-16(3)12(17)6-10-4-5-19-8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyAJUJSNFMLIVLLZ-UHFFFAOYSA-N
XLogP2.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide with MolForge

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Related Compounds

N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 72857248
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 70752631
3-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-5-oxopentanoic acid
CID 55157709
1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 130762807
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 72923499
N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 70750692
2-(1-benzyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 50953336
2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 70770992
3-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 30877177
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
3-[ethyl-(2-thiophen-3-ylacetyl)amino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide (CID 70787614) is N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide is CC(C)c1nc(CN(C)C(=O)Cc2ccsc2)no1.
What is the InChIKey of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is AJUJSNFMLIVLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(2)13-14-11(15-18-13)7-16(3)12(17)6-10-4-5-19-8-10/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide?
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 279.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 70787614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).