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

C23H26FN3O2 — CID 55509879

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C23H26FN3O2/c1-4-27(15-17-6-5-7-20(24)14-17)22(28)13-12-21-25-23(26-29-21)19-10-8-18(9-11-19)16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3
InChIKeyYRWSEOKLRCWSQH-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.98
Rot. Bonds8

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

N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55509879) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID55509879
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C23H26FN3O2/c1-4-27(15-17-6-5-7-20(24)14-17)22(28)13-12-21-25-23(26-29-21)19-10-8-18(9-11-19)16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3
InChIKeyYRWSEOKLRCWSQH-UHFFFAOYSA-N
XLogP4.98
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 137026778
N-[(3,4-difluorophenyl)methyl]-N-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55557943
N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 60609744
N-ethyl-3-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 8836343
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55889614
N-methoxy-N-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46577796
methyl 3-[2-methylpropyl-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55820741
N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047532
N,N-dibenzyl-3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100759699
N-[3-(diethylaminomethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 38747951
N-methyl-N-(3-methylsulfonylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 155945804
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34775688

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55509879) is N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCN(Cc1cccc(F)c1)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is YRWSEOKLRCWSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-4-27(15-17-6-5-7-20(24)14-17)22(28)13-12-21-25-23(26-29-21)19-10-8-18(9-11-19)16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 395.48 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55509879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).