N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide

C22H25N3O3 — CID 131940946

IUPACN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccco1)NCc1nc(C2CCCCC2)no1
InChIInChI=1S/C22H25N3O3/c26-20(14-18(19-12-7-13-27-19)16-8-3-1-4-9-16)23-15-21-24-22(25-28-21)17-10-5-2-6-11-17/h1,3-4,7-9,12-13,17-18H,2,5-6,10-11,14-15H2,(H,23,26)
InChIKeyCROGRGYRRHZEES-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.55
Rot. Bonds7

About N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide (PubChem CID 131940946) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide
PubChem CID131940946
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccco1)NCc1nc(C2CCCCC2)no1
InChIInChI=1S/C22H25N3O3/c26-20(14-18(19-12-7-13-27-19)16-8-3-1-4-9-16)23-15-21-24-22(25-28-21)17-10-5-2-6-11-17/h1,3-4,7-9,12-13,17-18H,2,5-6,10-11,14-15H2,(H,23,26)
InChIKeyCROGRGYRRHZEES-UHFFFAOYSA-N
XLogP4.55
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 131909757
[(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea
CID 100611253
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 65425762
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 135117057
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
CID 42535403
N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide
CID 118788592
N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 122245423
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide
CID 97210642
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea
CID 122561757
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea
CID 72844286
3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide
CID 91776883

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide?
The IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide (CID 131940946) is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide is O=C(CC(c1ccccc1)c1ccco1)NCc1nc(C2CCCCC2)no1.
What is the InChIKey of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide?
The InChIKey is CROGRGYRRHZEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-20(14-18(19-12-7-13-27-19)16-8-3-1-4-9-16)23-15-21-24-22(25-28-21)17-10-5-2-6-11-17/h1,3-4,7-9,12-13,17-18H,2,5-6,10-11,14-15H2,(H,23,26).
What are the key properties of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide?
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide has a molecular weight of 379.46 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 131940946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).