N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide

C22H25N3O2 — CID 100761277

IUPACN-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccc3ccccc23)no1)NC1CCCCCC1
InChIInChI=1S/C22H25N3O2/c26-20(23-17-10-3-1-2-4-11-17)14-15-21-24-22(25-27-21)19-13-7-9-16-8-5-6-12-18(16)19/h5-9,12-13,17H,1-4,10-11,14-15H2,(H,23,26)
InChIKeyUDKXTNNVURFLHF-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.66
Rot. Bonds5

About N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide

N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 100761277) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID100761277
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccc3ccccc23)no1)NC1CCCCCC1
InChIInChI=1S/C22H25N3O2/c26-20(23-17-10-3-1-2-4-11-17)14-15-21-24-22(25-27-21)19-13-7-9-16-8-5-6-12-18(16)19/h5-9,12-13,17H,1-4,10-11,14-15H2,(H,23,26)
InChIKeyUDKXTNNVURFLHF-UHFFFAOYSA-N
XLogP4.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 133209775
N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18106193
N-cyclohexyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089346
N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761406
N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100762045
N-cyclopentyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9078298
N-[(2S)-butan-2-yl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761242
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
1-(4-methylpiperidin-1-yl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 100761827
N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 100761277) is N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccc3ccccc23)no1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is UDKXTNNVURFLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-20(23-17-10-3-1-2-4-11-17)14-15-21-24-22(25-27-21)19-13-7-9-16-8-5-6-12-18(16)19/h5-9,12-13,17H,1-4,10-11,14-15H2,(H,23,26).
What are the key properties of N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 100761277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).