N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide

C18H23BrN4O3 — CID 55952741

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)(C)c1noc(CCC(=O)NCCC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C18H23BrN4O3/c1-18(2,3)17-22-16(26-23-17)9-8-14(24)20-11-10-15(25)21-13-6-4-12(19)5-7-13/h4-7H,8-11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyBUEIDMPJUSTYFK-UHFFFAOYSA-N
MW423.31 g/mol
LogP3.21
Rot. Bonds7

About N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide

N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55952741) has the molecular formula C18H23BrN4O3 and a molecular weight of 423.31 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55952741
Molecular FormulaC18H23BrN4O3
Molecular Weight423.31 g/mol
Exact Mass422.10
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)(C)c1noc(CCC(=O)NCCC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C18H23BrN4O3/c1-18(2,3)17-22-16(26-23-17)9-8-14(24)20-11-10-15(25)21-13-6-4-12(19)5-7-13/h4-7H,8-11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyBUEIDMPJUSTYFK-UHFFFAOYSA-N
XLogP3.21
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 39898339
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046869
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
CID 47030832
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 56573655
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
N-(4-tert-butylphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46446507
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide
CID 87031670
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide
CID 55798485
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide
CID 86991458
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide (CID 55952741) is N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)(C)c1noc(CCC(=O)NCCC(=O)Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is BUEIDMPJUSTYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O3/c1-18(2,3)17-22-16(26-23-17)9-8-14(24)20-11-10-15(25)21-13-6-4-12(19)5-7-13/h4-7H,8-11H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 423.31 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55952741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).