N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C22H24FN3O3 — CID 18115741

IUPACN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)CCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C22H24FN3O3/c1-4-26(14-16-7-10-19(28-3)18(23)13-16)21(27)12-11-20-24-25-22(29-20)17-8-5-15(2)6-9-17/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyKRYONZJAIROXEB-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.17
Rot. Bonds8

About N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 18115741) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID18115741
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)CCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C22H24FN3O3/c1-4-26(14-16-7-10-19(28-3)18(23)13-16)21(27)12-11-20-24-25-22(29-20)17-8-5-15(2)6-9-17/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyKRYONZJAIROXEB-UHFFFAOYSA-N
XLogP4.17
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide
CID 55413074
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38087106
N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334016
N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334734
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 78865180
2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide
CID 24600784
5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide
CID 82013913
N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
CID 55599969
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 18115704
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
(5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 46660052

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 18115741) is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)CCc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is KRYONZJAIROXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-4-26(14-16-7-10-19(28-3)18(23)13-16)21(27)12-11-20-24-25-22(29-20)17-8-5-15(2)6-9-17/h5-10,13H,4,11-12,14H2,1-3H3.
What are the key properties of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 397.45 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 18115741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).