N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide

C23H25N3O4 — CID 35521962

IUPACN-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
SMILESCCOc1ccc(-c2nc(-c3cccc(NC(=O)C4CCC4)c3)no2)cc1OCC
InChIInChI=1S/C23H25N3O4/c1-3-28-19-12-11-17(14-20(19)29-4-2)23-25-21(26-30-23)16-9-6-10-18(13-16)24-22(27)15-7-5-8-15/h6,9-15H,3-5,7-8H2,1-2H3,(H,24,27)
InChIKeyOBODBFIPABPDQX-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.94
Rot. Bonds8

About N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide

N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide (PubChem CID 35521962) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
PubChem CID35521962
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
SMILESCCOc1ccc(-c2nc(-c3cccc(NC(=O)C4CCC4)c3)no2)cc1OCC
InChIInChI=1S/C23H25N3O4/c1-3-28-19-12-11-17(14-20(19)29-4-2)23-25-21(26-30-23)16-9-6-10-18(13-16)24-22(27)15-7-5-8-15/h6,9-15H,3-5,7-8H2,1-2H3,(H,24,27)
InChIKeyOBODBFIPABPDQX-UHFFFAOYSA-N
XLogP4.94
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 35521938
N-(3-chloro-4-methoxyphenyl)-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 53051297
3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281999
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410
1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778295
2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266949
4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674434
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 53023440
4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroxy-2,3-dihydroinden-1-one
CID 174631933
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-4-carboxamide
CID 22334890
(3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51963605

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide (CID 35521962) is N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide is CCOc1ccc(-c2nc(-c3cccc(NC(=O)C4CCC4)c3)no2)cc1OCC.
What is the InChIKey of N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is OBODBFIPABPDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-28-19-12-11-17(14-20(19)29-4-2)23-25-21(26-30-23)16-9-6-10-18(13-16)24-22(27)15-7-5-8-15/h6,9-15H,3-5,7-8H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide?
N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 407.47 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 35521962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).