3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide

C22H26N4O3 — CID 50827812

IUPAC3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1nc(-c2ccc(N3CCCCCC3)cc2)no1
InChIInChI=1S/C22H26N4O3/c1-16(15-19-7-6-14-28-19)23-21(27)22-24-20(25-29-22)17-8-10-18(11-9-17)26-12-4-2-3-5-13-26/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,23,27)
InChIKeyGFTWUEFHYHGLTE-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.07
Rot. Bonds6

About 3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide

3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50827812) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID50827812
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1nc(-c2ccc(N3CCCCCC3)cc2)no1
InChIInChI=1S/C22H26N4O3/c1-16(15-19-7-6-14-28-19)23-21(27)22-24-20(25-29-22)17-8-10-18(11-9-17)26-12-4-2-3-5-13-26/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,23,27)
InChIKeyGFTWUEFHYHGLTE-UHFFFAOYSA-N
XLogP4.07
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 95057357
N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827865
N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828031
N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 92723590
N-propyl-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827969
3-[4-(azepan-1-yl)phenyl]-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827856
3-[4-(azepan-1-yl)phenyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827764
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide
CID 92865777
N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827823
3-[4-(azepan-1-yl)phenyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95057371
1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 92868257
3-[4-(azepan-1-yl)phenyl]-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50828022

Frequently Asked Questions

What is the IUPAC name of 3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide (CID 50827812) is 3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide is CC(Cc1ccco1)NC(=O)c1nc(-c2ccc(N3CCCCCC3)cc2)no1.
What is the InChIKey of 3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GFTWUEFHYHGLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16(15-19-7-6-14-28-19)23-21(27)22-24-20(25-29-22)17-8-10-18(11-9-17)26-12-4-2-3-5-13-26/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,23,27).
What are the key properties of 3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide?
3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50827812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).