N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

C21H23N3O3 — CID 55834700

IUPACN-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C21H23N3O3/c1-2-7-19-23-21(27-24-19)11-6-10-20(25)22-16-12-14-18(15-13-16)26-17-8-4-3-5-9-17/h3-5,8-9,12-15H,2,6-7,10-11H2,1H3,(H,22,25)
InChIKeyJEAGBOUGYVXCBS-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.78
Rot. Bonds9

About N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55834700) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55834700
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C21H23N3O3/c1-2-7-19-23-21(27-24-19)11-6-10-20(25)22-16-12-14-18(15-13-16)26-17-8-4-3-5-9-17/h3-5,8-9,12-15H,2,6-7,10-11H2,1H3,(H,22,25)
InChIKeyJEAGBOUGYVXCBS-UHFFFAOYSA-N
XLogP4.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 52667872
N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64795052
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide
CID 100759603
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119045768
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 75524613
N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55853359
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120567918
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
5-chloro-N-(4-phenoxyphenyl)pentanamide
CID 28971507

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (CID 55834700) is N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is CCCc1noc(CCCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is JEAGBOUGYVXCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-7-19-23-21(27-24-19)11-6-10-20(25)22-16-12-14-18(15-13-16)26-17-8-4-3-5-9-17/h3-5,8-9,12-15H,2,6-7,10-11H2,1H3,(H,22,25).
What are the key properties of N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 365.43 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55834700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).