5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide

C22H21FN4O2S — CID 98065456

IUPAC5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1CCC(c2nnc(-c3cccs3)o2)CC1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C22H21FN4O2S/c23-16-7-8-17-15(10-16)11-18(25-17)20(28)24-12-13-3-5-14(6-4-13)21-26-27-22(29-21)19-2-1-9-30-19/h1-2,7-11,13-14,25H,3-6,12H2,(H,24,28)
InChIKeyUTELTDHXTRVNSU-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.12
Rot. Bonds5

About 5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide

5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide (PubChem CID 98065456) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide
PubChem CID98065456
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1CCC(c2nnc(-c3cccs3)o2)CC1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C22H21FN4O2S/c23-16-7-8-17-15(10-16)11-18(25-17)20(28)24-12-13-3-5-14(6-4-13)21-26-27-22(29-21)19-2-1-9-30-19/h1-2,7-11,13-14,25H,3-6,12H2,(H,24,28)
InChIKeyUTELTDHXTRVNSU-UHFFFAOYSA-N
XLogP5.12
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide (CID 98065456) is 5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide is O=C(NCC1CCC(c2nnc(-c3cccs3)o2)CC1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is UTELTDHXTRVNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c23-16-7-8-17-15(10-16)11-18(25-17)20(28)24-12-13-3-5-14(6-4-13)21-26-27-22(29-21)19-2-1-9-30-19/h1-2,7-11,13-14,25H,3-6,12H2,(H,24,28).
What are the key properties of 5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide?
5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 98065456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).