N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

C18H22N4O2 — CID 93058091

IUPACN-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCCc1nnc(-c2cn(CC(=O)N[C@@H](C)CC)c3ccccc23)o1
InChIInChI=1S/C18H22N4O2/c1-4-12(3)19-16(23)11-22-10-14(13-8-6-7-9-15(13)22)18-21-20-17(5-2)24-18/h6-10,12H,4-5,11H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeySBOBNAUCOIIPNC-LBPRGKRZSA-N
MW326.40 g/mol
LogP3.17
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (PubChem CID 93058091) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
PubChem CID93058091
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCCc1nnc(-c2cn(CC(=O)N[C@@H](C)CC)c3ccccc23)o1
InChIInChI=1S/C18H22N4O2/c1-4-12(3)19-16(23)11-22-10-14(13-8-6-7-9-15(13)22)18-21-20-17(5-2)24-18/h6-10,12H,4-5,11H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeySBOBNAUCOIIPNC-LBPRGKRZSA-N
XLogP3.17
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53027959
N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53006638
2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 53027972
2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 53071585
N-ethyl-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385202
2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propan-2-ylacetamide
CID 53027926
N-butan-2-yl-2-(3-formylindol-1-yl)acetamide
CID 4255967
2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-phenylacetamide
CID 42111225
methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate
CID 46257811
N-[(4-methylphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385224
N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385218
N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385237

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (CID 93058091) is N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is CCc1nnc(-c2cn(CC(=O)N[C@@H](C)CC)c3ccccc23)o1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The InChIKey is SBOBNAUCOIIPNC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-12(3)19-16(23)11-22-10-14(13-8-6-7-9-15(13)22)18-21-20-17(5-2)24-18/h6-10,12H,4-5,11H2,1-3H3,(H,19,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 93058091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).