3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide

C21H23N3O3 — CID 95990367

IUPAC3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1cccc(-c2noc(CCC(=O)Nc3ccc(C(C)C)cc3)n2)c1
InChIInChI=1S/C21H23N3O3/c1-14(2)15-7-9-17(10-8-15)22-19(25)11-12-20-23-21(24-27-20)16-5-4-6-18(13-16)26-3/h4-10,13-14H,11-12H2,1-3H3,(H,22,25)
InChIKeyMFKWMKQHGQLRSD-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.44
Rot. Bonds7

About 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide

3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 95990367) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID95990367
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1cccc(-c2noc(CCC(=O)Nc3ccc(C(C)C)cc3)n2)c1
InChIInChI=1S/C21H23N3O3/c1-14(2)15-7-9-17(10-8-15)22-19(25)11-12-20-23-21(24-27-20)16-5-4-6-18(13-16)26-3/h4-10,13-14H,11-12H2,1-3H3,(H,22,25)
InChIKeyMFKWMKQHGQLRSD-UHFFFAOYSA-N
XLogP4.44
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330937
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 100762308
N-(2,3-dimethylquinoxalin-6-yl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46980027
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide
CID 100760326
N-(2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2000634
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 100760807
N-(2-ethylphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760317
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
N-(5-chloro-2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760642
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide (CID 95990367) is 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide is COc1cccc(-c2noc(CCC(=O)Nc3ccc(C(C)C)cc3)n2)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is MFKWMKQHGQLRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(2)15-7-9-17(10-8-15)22-19(25)11-12-20-23-21(24-27-20)16-5-4-6-18(13-16)26-3/h4-10,13-14H,11-12H2,1-3H3,(H,22,25).
What are the key properties of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide?
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 95990367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).