N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide

C23H21N3O3S — CID 4625323

IUPACN-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
SMILESCCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc1
InChIInChI=1S/C23H21N3O3S/c1-2-4-16-6-12-19(13-7-16)28-15-21-25-22(26-29-21)17-8-10-18(11-9-17)24-23(27)20-5-3-14-30-20/h3,5-14H,2,4,15H2,1H3,(H,24,27)
InChIKeyJPEWDZWTXBRHDX-UHFFFAOYSA-N
MW419.51 g/mol
LogP5.58
Rot. Bonds8

About N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide

N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide (PubChem CID 4625323) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
PubChem CID4625323
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
SMILESCCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc1
InChIInChI=1S/C23H21N3O3S/c1-2-4-16-6-12-19(13-7-16)28-15-21-25-22(26-29-21)17-8-10-18(11-9-17)24-23(27)20-5-3-14-30-20/h3,5-14H,2,4,15H2,1H3,(H,24,27)
InChIKeyJPEWDZWTXBRHDX-UHFFFAOYSA-N
XLogP5.58
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide (CID 4625323) is N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide is CCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc1.
What is the InChIKey of N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is JPEWDZWTXBRHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-2-4-16-6-12-19(13-7-16)28-15-21-25-22(26-29-21)17-8-10-18(11-9-17)24-23(27)20-5-3-14-30-20/h3,5-14H,2,4,15H2,1H3,(H,24,27).
What are the key properties of N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4625323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).