N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

C23H27FN4O2S — CID 47074698

IUPACN-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCCN(CC)Cc1nc(C2(NC(=O)c3ccc(-c4ccc(F)cc4)s3)CCCC2)no1
InChIInChI=1S/C23H27FN4O2S/c1-3-28(4-2)15-20-25-22(27-30-20)23(13-5-6-14-23)26-21(29)19-12-11-18(31-19)16-7-9-17(24)10-8-16/h7-12H,3-6,13-15H2,1-2H3,(H,26,29)
InChIKeySZFLJQYVHSNLKK-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.98
Rot. Bonds8

About N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 47074698) has the molecular formula C23H27FN4O2S and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID47074698
Molecular FormulaC23H27FN4O2S
Molecular Weight442.56 g/mol
Exact Mass442.18
IUPAC NameN-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCCN(CC)Cc1nc(C2(NC(=O)c3ccc(-c4ccc(F)cc4)s3)CCCC2)no1
InChIInChI=1S/C23H27FN4O2S/c1-3-28(4-2)15-20-25-22(27-30-20)23(13-5-6-14-23)26-21(29)19-12-11-18(31-19)16-7-9-17(24)10-8-16/h7-12H,3-6,13-15H2,1-2H3,(H,26,29)
InChIKeySZFLJQYVHSNLKK-UHFFFAOYSA-N
XLogP4.98
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 47074698) is N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is CCN(CC)Cc1nc(C2(NC(=O)c3ccc(-c4ccc(F)cc4)s3)CCCC2)no1.
What is the InChIKey of N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is SZFLJQYVHSNLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2S/c1-3-28(4-2)15-20-25-22(27-30-20)23(13-5-6-14-23)26-21(29)19-12-11-18(31-19)16-7-9-17(24)10-8-16/h7-12H,3-6,13-15H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 47074698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).