N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide

C22H15F6N5O2 — CID 149083820

IUPACN-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccccn3)on2)cnn1Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C22H15F6N5O2/c1-12-18(31-20(34)17-9-19(35-32-17)16-4-2-3-7-29-16)10-30-33(12)11-13-5-6-14(21(23,24)25)8-15(13)22(26,27)28/h2-10H,11H2,1H3,(H,31,34)
InChIKeyQQVUNLDSOZUPDY-UHFFFAOYSA-N
MW495.38 g/mol
LogP5.58
Rot. Bonds5

About N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide

N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 149083820) has the molecular formula C22H15F6N5O2 and a molecular weight of 495.38 g/mol. Its IUPAC name is N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
PubChem CID149083820
Molecular FormulaC22H15F6N5O2
Molecular Weight495.38 g/mol
Exact Mass495.11
IUPAC NameN-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccccn3)on2)cnn1Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C22H15F6N5O2/c1-12-18(31-20(34)17-9-19(35-32-17)16-4-2-3-7-29-16)10-30-33(12)11-13-5-6-14(21(23,24)25)8-15(13)22(26,27)28/h2-10H,11H2,1H3,(H,31,34)
InChIKeyQQVUNLDSOZUPDY-UHFFFAOYSA-N
XLogP5.58
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.38
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (CID 149083820) is N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is Cc1c(NC(=O)c2cc(-c3ccccn3)on2)cnn1Cc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is QQVUNLDSOZUPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N5O2/c1-12-18(31-20(34)17-9-19(35-32-17)16-4-2-3-7-29-16)10-30-33(12)11-13-5-6-14(21(23,24)25)8-15(13)22(26,27)28/h2-10H,11H2,1H3,(H,31,34).
What are the key properties of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 495.38 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 149083820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).