N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H16FN5O2 — CID 19493468

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2)n1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C19H16FN5O2/c20-15-8-6-14(7-9-15)16-10-17(27-24-16)18(26)22-19-21-12-25(23-19)11-13-4-2-1-3-5-13/h1-9,12,17H,10-11H2,(H,22,23,26)
InChIKeyRVSAUZCFXCHVGN-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.60
Rot. Bonds5

About N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493468) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493468
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2)n1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C19H16FN5O2/c20-15-8-6-14(7-9-15)16-10-17(27-24-16)18(26)22-19-21-12-25(23-19)11-13-4-2-1-3-5-13/h1-9,12,17H,10-11H2,(H,22,23,26)
InChIKeyRVSAUZCFXCHVGN-UHFFFAOYSA-N
XLogP2.60
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493468) is N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ncn(Cc2ccccc2)n1)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is RVSAUZCFXCHVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-15-8-6-14(7-9-15)16-10-17(27-24-16)18(26)22-19-21-12-25(23-19)11-13-4-2-1-3-5-13/h1-9,12,17H,10-11H2,(H,22,23,26).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).