1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide

C21H18FN5O2 — CID 99811332

IUPAC1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)Nc2ccc(-c3cnco3)cc2)nn1-c1ccccc1F
InChIInChI=1S/C21H18FN5O2/c1-13(2)20-25-19(26-27(20)17-6-4-3-5-16(17)22)21(28)24-15-9-7-14(8-10-15)18-11-23-12-29-18/h3-13H,1-2H3,(H,24,28)
InChIKeyZNIFQNWSRDBTCN-UHFFFAOYSA-N
MW391.41 g/mol
LogP4.44
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide

1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 99811332) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID99811332
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)Nc2ccc(-c3cnco3)cc2)nn1-c1ccccc1F
InChIInChI=1S/C21H18FN5O2/c1-13(2)20-25-19(26-27(20)17-6-4-3-5-16(17)22)21(28)24-15-9-7-14(8-10-15)18-11-23-12-29-18/h3-13H,1-2H3,(H,24,28)
InChIKeyZNIFQNWSRDBTCN-UHFFFAOYSA-N
XLogP4.44
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide (CID 99811332) is 1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide is CC(C)c1nc(C(=O)Nc2ccc(-c3cnco3)cc2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is ZNIFQNWSRDBTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-13(2)20-25-19(26-27(20)17-6-4-3-5-16(17)22)21(28)24-15-9-7-14(8-10-15)18-11-23-12-29-18/h3-13H,1-2H3,(H,24,28).
What are the key properties of 1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide?
1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 99811332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).