3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid

C19H25N3O4 — CID 119252322

IUPAC3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
SMILESCC(C)(C)c1noc(CCCC(=O)Nc2ccc(CCC(=O)O)cc2)n1
InChIInChI=1S/C19H25N3O4/c1-19(2,3)18-21-16(26-22-18)6-4-5-15(23)20-14-10-7-13(8-11-14)9-12-17(24)25/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,20,23)(H,24,25)
InChIKeySIYQIEDVXIOUPZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.35
Rot. Bonds8

About 3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid

3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid (PubChem CID 119252322) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
PubChem CID119252322
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
SMILESCC(C)(C)c1noc(CCCC(=O)Nc2ccc(CCC(=O)O)cc2)n1
InChIInChI=1S/C19H25N3O4/c1-19(2,3)18-21-16(26-22-18)6-4-5-15(23)20-14-10-7-13(8-11-14)9-12-17(24)25/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,20,23)(H,24,25)
InChIKeySIYQIEDVXIOUPZ-UHFFFAOYSA-N
XLogP3.35
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide
CID 55670940
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819
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
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55952741
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
CID 46456355
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766144
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]butanamide
CID 55891133
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid (CID 119252322) is 3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid is CC(C)(C)c1noc(CCCC(=O)Nc2ccc(CCC(=O)O)cc2)n1.
What is the InChIKey of 3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid?
The InChIKey is SIYQIEDVXIOUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-19(2,3)18-21-16(26-22-18)6-4-5-15(23)20-14-10-7-13(8-11-14)9-12-17(24)25/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,20,23)(H,24,25).
What are the key properties of 3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid?
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid has a molecular weight of 359.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid is sourced from PubChem (CID 119252322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).