N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C23H21N3O3S — CID 71800594

IUPACN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)C1(c2cccs2)CCCC1
InChIInChI=1S/C23H21N3O3S/c27-22(23(11-3-4-12-23)19-10-6-14-30-19)24-17-8-2-1-7-16(17)15-20-25-21(26-29-20)18-9-5-13-28-18/h1-2,5-10,13-14H,3-4,11-12,15H2,(H,24,27)
InChIKeyBQEGQUVSMARRDH-UHFFFAOYSA-N
MW419.51 g/mol
LogP5.43
Rot. Bonds6

About N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71800594) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71800594
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)C1(c2cccs2)CCCC1
InChIInChI=1S/C23H21N3O3S/c27-22(23(11-3-4-12-23)19-10-6-14-30-19)24-17-8-2-1-7-16(17)15-20-25-21(26-29-20)18-9-5-13-28-18/h1-2,5-10,13-14H,3-4,11-12,15H2,(H,24,27)
InChIKeyBQEGQUVSMARRDH-UHFFFAOYSA-N
XLogP5.43
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-4-phenyloxane-4-carboxamide
CID 90563408
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-3-methyloxetane-3-carboxamide
CID 146022520
2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 90563356
5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 86263846
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 86263840
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-4-(trifluoromethyl)benzamide
CID 90563328
5-chloro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]thiophene-2-carboxamide
CID 71800597
2-(1,2-benzoxazol-3-yl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 72717405
2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 90563338
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide
CID 90563522
methyl 4-[[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]sulfamoyl]benzoate
CID 90563586
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]pyrrolidine-1-sulfonamide
CID 90563620

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71800594) is N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is BQEGQUVSMARRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c27-22(23(11-3-4-12-23)19-10-6-14-30-19)24-17-8-2-1-7-16(17)15-20-25-21(26-29-20)18-9-5-13-28-18/h1-2,5-10,13-14H,3-4,11-12,15H2,(H,24,27).
What are the key properties of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71800594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).