N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide

C21H20FN5O2 — CID 139968654

IUPACN-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1cnoc1-c1ccc(F)cc1)Nc1ccc(CN2C=NNC2)cc1
InChIInChI=1S/C21H20FN5O2/c22-18-6-3-16(4-7-18)21-17(11-25-29-21)5-10-20(28)26-19-8-1-15(2-9-19)12-27-13-23-24-14-27/h1-4,6-9,11,13,24H,5,10,12,14H2,(H,26,28)
InChIKeyLIWUIIWIQAFRKF-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.36
Rot. Bonds7

About N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide

N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 139968654) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID139968654
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1cnoc1-c1ccc(F)cc1)Nc1ccc(CN2C=NNC2)cc1
InChIInChI=1S/C21H20FN5O2/c22-18-6-3-16(4-7-18)21-17(11-25-29-21)5-10-20(28)26-19-8-1-15(2-9-19)12-27-13-23-24-14-27/h1-4,6-9,11,13,24H,5,10,12,14H2,(H,26,28)
InChIKeyLIWUIIWIQAFRKF-UHFFFAOYSA-N
XLogP3.36
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-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-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 139968662
N-[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 87893244
N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 87889547
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 10276319
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 139920480
N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 22221166
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 22221075
N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 87889954
N-(4-benzylpiperazin-1-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide;2,2,2-trifluoroacetic acid
CID 22221461
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide
CID 22221388
N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 22221434
3-[5-(4-chloro-3-fluorophenyl)-1,2-oxazol-4-yl]-N-[4-(diethoxyphosphorylmethyl)phenyl]propanamide
CID 87889750

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (CID 139968654) is N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is O=C(CCc1cnoc1-c1ccc(F)cc1)Nc1ccc(CN2C=NNC2)cc1.
What is the InChIKey of N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is LIWUIIWIQAFRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-18-6-3-16(4-7-18)21-17(11-25-29-21)5-10-20(28)26-19-8-1-15(2-9-19)12-27-13-23-24-14-27/h1-4,6-9,11,13,24H,5,10,12,14H2,(H,26,28).
What are the key properties of N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 393.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 139968654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).