4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide

C19H23N5O2 — CID 55670940

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)Nc2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C19H23N5O2/c1-19(2,3)18-22-17(26-23-18)6-4-5-16(25)21-14-7-9-15(10-8-14)24-12-11-20-13-24/h7-13H,4-6H2,1-3H3,(H,21,25)
InChIKeyWJZVKJCKKPIEJD-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.51
Rot. Bonds6

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide (PubChem CID 55670940) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide
PubChem CID55670940
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)Nc2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C19H23N5O2/c1-19(2,3)18-22-17(26-23-18)6-4-5-16(25)21-14-7-9-15(10-8-14)24-12-11-20-13-24/h7-13H,4-6H2,1-3H3,(H,21,25)
InChIKeyWJZVKJCKKPIEJD-UHFFFAOYSA-N
XLogP3.51
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766144
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide
CID 86991458
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]butanamide
CID 55891133
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide
CID 56506786
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 120566411
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N'-(4-fluorophenyl)butanehydrazide
CID 126799900
N-(4-imidazol-1-ylphenyl)-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
CID 22221318
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
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide (CID 55670940) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide is CC(C)(C)c1noc(CCCC(=O)Nc2ccc(-n3ccnc3)cc2)n1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide?
The InChIKey is WJZVKJCKKPIEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-19(2,3)18-22-17(26-23-18)6-4-5-16(25)21-14-7-9-15(10-8-14)24-12-11-20-13-24/h7-13H,4-6H2,1-3H3,(H,21,25).
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide has a molecular weight of 353.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide is sourced from PubChem (CID 55670940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).