N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide

C15H18BrN3O2 — CID 83280029

IUPACN-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C15H18BrN3O2/c1-9(2)8-13(20)17-10(3)15-18-14(19-21-15)11-4-6-12(16)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,17,20)
InChIKeyCDPFVVVDPKNHRN-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.72
Rot. Bonds5

About N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide

N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide (PubChem CID 83280029) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
PubChem CID83280029
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC NameN-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C15H18BrN3O2/c1-9(2)8-13(20)17-10(3)15-18-14(19-21-15)11-4-6-12(16)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,17,20)
InChIKeyCDPFVVVDPKNHRN-UHFFFAOYSA-N
XLogP3.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 83280963
3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 83286620
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101346
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 47087614
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 7449596
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 55220902
(2R,3S)-N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120937518
N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 166420500
[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate
CID 44605912
3-(4-bromophenyl)-5-[(2S)-butan-2-yl]-1,2,4-oxadiazole
CID 90311133
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide
CID 83280023

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide?
The IUPAC name of N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide (CID 83280029) is N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide is CC(C)CC(=O)NC(C)c1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide?
The InChIKey is CDPFVVVDPKNHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-9(2)8-13(20)17-10(3)15-18-14(19-21-15)11-4-6-12(16)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,17,20).
What are the key properties of N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide?
N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide has a molecular weight of 352.23 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide is sourced from PubChem (CID 83280029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).