N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide

C18H22N6O3 — CID 51129707

IUPACN-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)c1ccc(OCCNC(=O)CCc2nc(-c3ncn[nH]3)no2)cc1
InChIInChI=1S/C18H22N6O3/c1-12(2)13-3-5-14(6-4-13)26-10-9-19-15(25)7-8-16-22-18(24-27-16)17-20-11-21-23-17/h3-6,11-12H,7-10H2,1-2H3,(H,19,25)(H,20,21,23)
InChIKeyZCUOIANLAOHNCV-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.11
Rot. Bonds9

About N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 51129707) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID51129707
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC NameN-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)c1ccc(OCCNC(=O)CCc2nc(-c3ncn[nH]3)no2)cc1
InChIInChI=1S/C18H22N6O3/c1-12(2)13-3-5-14(6-4-13)26-10-9-19-15(25)7-8-16-22-18(24-27-16)17-20-11-21-23-17/h3-6,11-12H,7-10H2,1-2H3,(H,19,25)(H,20,21,23)
InChIKeyZCUOIANLAOHNCV-UHFFFAOYSA-N
XLogP2.11
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-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

N-[2-(4-fluorophenoxy)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 37360908
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55662648
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 52516909
N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330882
N-(3-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406004
N-[2-oxo-2-(propylamino)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35354145
5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]pentanoic acid
CID 119234607
N-[2-(4-fluorophenoxy)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469483
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 2028921
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55751256
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 55931412

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 51129707) is N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)c1ccc(OCCNC(=O)CCc2nc(-c3ncn[nH]3)no2)cc1.
What is the InChIKey of N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is ZCUOIANLAOHNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-12(2)13-3-5-14(6-4-13)26-10-9-19-15(25)7-8-16-22-18(24-27-16)17-20-11-21-23-17/h3-6,11-12H,7-10H2,1-2H3,(H,19,25)(H,20,21,23).
What are the key properties of N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 370.41 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 51129707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).