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

C22H15F6N5O2 — CID 148821646

IUPACN-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1cc(-c2ccccn2)on1)c1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C22H15F6N5O2/c1-32(20(34)18-9-19(35-31-18)17-4-2-3-7-29-17)15-10-30-33(12-15)11-13-5-6-14(21(23,24)25)8-16(13)22(26,27)28/h2-10,12H,11H2,1H3
InChIKeyORXHPKDBFGHMCW-UHFFFAOYSA-N
MW495.38 g/mol
LogP5.30
Rot. Bonds5

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

N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 148821646) 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]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
PubChem CID148821646
Molecular FormulaC22H15F6N5O2
Molecular Weight495.38 g/mol
Exact Mass495.11
IUPAC NameN-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1cc(-c2ccccn2)on1)c1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C22H15F6N5O2/c1-32(20(34)18-9-19(35-31-18)17-4-2-3-7-29-17)15-10-30-33(12-15)11-13-5-6-14(21(23,24)25)8-16(13)22(26,27)28/h2-10,12H,11H2,1H3
InChIKeyORXHPKDBFGHMCW-UHFFFAOYSA-N
XLogP5.30
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (CID 148821646) is N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is CN(C(=O)c1cc(-c2ccccn2)on1)c1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1.
What is the InChIKey of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ORXHPKDBFGHMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N5O2/c1-32(20(34)18-9-19(35-31-18)17-4-2-3-7-29-17)15-10-30-33(12-15)11-13-5-6-14(21(23,24)25)8-16(13)22(26,27)28/h2-10,12H,11H2,1H3.
What are the key properties of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 495.38 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 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]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 148821646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).