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

C18H20N4O3 — CID 87046869

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2ccc(-c3cnco3)cc2)n1
InChIInChI=1S/C18H20N4O3/c1-18(2,3)17-21-16(25-22-17)9-8-15(23)20-13-6-4-12(5-7-13)14-10-19-11-24-14/h4-7,10-11H,8-9H2,1-3H3,(H,20,23)
InChIKeyRJNWNMRIHQSGSX-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.59
Rot. Bonds5

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

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide (PubChem CID 87046869) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
PubChem CID87046869
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2ccc(-c3cnco3)cc2)n1
InChIInChI=1S/C18H20N4O3/c1-18(2,3)17-21-16(25-22-17)9-8-15(23)20-13-6-4-12(5-7-13)14-10-19-11-24-14/h4-7,10-11H,8-9H2,1-3H3,(H,20,23)
InChIKeyRJNWNMRIHQSGSX-UHFFFAOYSA-N
XLogP3.59
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]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-(6-methoxy-3-pyridinyl)propanamide
CID 39898339
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
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
CID 47030832
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
2-(tert-butylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78923690
5-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 20630720
4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
CID 63307748
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046910
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide
CID 86991458
2,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 2806322

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide (CID 87046869) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide is CC(C)(C)c1noc(CCC(=O)Nc2ccc(-c3cnco3)cc2)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
The InChIKey is RJNWNMRIHQSGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-18(2,3)17-21-16(25-22-17)9-8-15(23)20-13-6-4-12(5-7-13)14-10-19-11-24-14/h4-7,10-11H,8-9H2,1-3H3,(H,20,23).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide has a molecular weight of 340.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 87046869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).