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

C14H12FN5O2 — CID 119052003

IUPACN-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1cc(-c2cccc(F)c2)on1
InChIInChI=1S/C14H12FN5O2/c15-11-3-1-2-10(8-11)12-9-13(18-22-12)17-14(21)4-6-20-7-5-16-19-20/h1-3,5,7-9H,4,6H2,(H,17,18,21)
InChIKeyJFXKIWSSKOCRAO-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.10
Rot. Bonds5

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

N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide (PubChem CID 119052003) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide
PubChem CID119052003
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC NameN-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1cc(-c2cccc(F)c2)on1
InChIInChI=1S/C14H12FN5O2/c15-11-3-1-2-10(8-11)12-9-13(18-22-12)17-14(21)4-6-20-7-5-16-19-20/h1-3,5,7-9H,4,6H2,(H,17,18,21)
InChIKeyJFXKIWSSKOCRAO-UHFFFAOYSA-N
XLogP2.10
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-iodophenyl)-3-(triazol-1-yl)propanamide
CID 60725374
N-(3-bromophenyl)-3-(triazol-1-yl)propanamide
CID 43111902
N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)acetamide
CID 154755202
N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide
CID 103789698
N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide
CID 102820490
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 63254516
N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 63257477
N-(4-bromo-2-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 43111903
N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide
CID 63121181
N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
CID 103824710
1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
CID 58128785
N-(4-bromo-3,5-dimethylphenyl)-3-(triazol-1-yl)propanamide
CID 106491096

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide (CID 119052003) is N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)Nc1cc(-c2cccc(F)c2)on1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide?
The InChIKey is JFXKIWSSKOCRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2/c15-11-3-1-2-10(8-11)12-9-13(18-22-12)17-14(21)4-6-20-7-5-16-19-20/h1-3,5,7-9H,4,6H2,(H,17,18,21).
What are the key properties of N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide?
N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide has a molecular weight of 301.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 119052003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).