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

C18H23BrFN3O2 — CID 55761697

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)CCCc1nc(C(C)C)no1
InChIInChI=1S/C18H23BrFN3O2/c1-4-23(11-13-10-14(19)8-9-15(13)20)17(24)7-5-6-16-21-18(12(2)3)22-25-16/h8-10,12H,4-7,11H2,1-3H3
InChIKeyCMGGHXKRGSSBOS-UHFFFAOYSA-N
MW412.30 g/mol
LogP4.47
Rot. Bonds8

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

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55761697) has the molecular formula C18H23BrFN3O2 and a molecular weight of 412.30 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55761697
Molecular FormulaC18H23BrFN3O2
Molecular Weight412.30 g/mol
Exact Mass411.10
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)CCCc1nc(C(C)C)no1
InChIInChI=1S/C18H23BrFN3O2/c1-4-23(11-13-10-14(19)8-9-15(13)20)17(24)7-5-6-16-21-18(12(2)3)22-25-16/h8-10,12H,4-7,11H2,1-3H3
InChIKeyCMGGHXKRGSSBOS-UHFFFAOYSA-N
XLogP4.47
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.30
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpropanamide
CID 55595029
4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride
CID 120591120
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55713645
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55594677
N,N-diethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86982229
N-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78884274
N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide
CID 55593770
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
CID 55594554
2-[2-fluoro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]acetic acid
CID 122110181
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 55594558
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55618266

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 55761697) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CCN(Cc1cc(Br)ccc1F)C(=O)CCCc1nc(C(C)C)no1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is CMGGHXKRGSSBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrFN3O2/c1-4-23(11-13-10-14(19)8-9-15(13)20)17(24)7-5-6-16-21-18(12(2)3)22-25-16/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 412.30 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55761697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).