N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide

C18H21FN4O2 — CID 126816179

IUPACN-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)c1nc(Cc2c[nH]c3ccc(F)cc23)no1
InChIInChI=1S/C18H21FN4O2/c1-10(2)6-16(21-11(3)24)18-22-17(23-25-18)7-12-9-20-15-5-4-13(19)8-14(12)15/h4-5,8-10,16,20H,6-7H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyHOAFFPPBOYZUIO-INIZCTEOSA-N
MW344.39 g/mol
LogP3.50
Rot. Bonds6

About N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide

N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide (PubChem CID 126816179) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide
PubChem CID126816179
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)c1nc(Cc2c[nH]c3ccc(F)cc23)no1
InChIInChI=1S/C18H21FN4O2/c1-10(2)6-16(21-11(3)24)18-22-17(23-25-18)7-12-9-20-15-5-4-13(19)8-14(12)15/h4-5,8-10,16,20H,6-7H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyHOAFFPPBOYZUIO-INIZCTEOSA-N
XLogP3.50
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42582058
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide
CID 71377168
3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534589
N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
CID 72883781
2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide
CID 166262078
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
4-tert-butyl-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]benzamide
CID 95384522
4-tert-butyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]benzamide
CID 95384523
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 56791805

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide?
The IUPAC name of N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide (CID 126816179) is N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide?
The canonical SMILES for N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide is CC(=O)N[C@@H](CC(C)C)c1nc(Cc2c[nH]c3ccc(F)cc23)no1.
What is the InChIKey of N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide?
The InChIKey is HOAFFPPBOYZUIO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-10(2)6-16(21-11(3)24)18-22-17(23-25-18)7-12-9-20-15-5-4-13(19)8-14(12)15/h4-5,8-10,16,20H,6-7H2,1-3H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide?
N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide has a molecular weight of 344.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide is sourced from PubChem (CID 126816179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).