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

C21H13F6N5O2 — CID 148744317

IUPACN-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccccn2)on1
InChIInChI=1S/C21H13F6N5O2/c1-11-16(29-19(33)15-9-18(34-31-15)14-4-2-3-7-28-14)10-32(30-11)17-6-5-12(20(22,23)24)8-13(17)21(25,26)27/h2-10H,1H3,(H,29,33)
InChIKeyODLKJSFFPMCKGL-UHFFFAOYSA-N
MW481.36 g/mol
LogP5.52
Rot. Bonds4

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

N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 148744317) has the molecular formula C21H13F6N5O2 and a molecular weight of 481.36 g/mol. Its IUPAC name is N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
PubChem CID148744317
Molecular FormulaC21H13F6N5O2
Molecular Weight481.36 g/mol
Exact Mass481.10
IUPAC NameN-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccccn2)on1
InChIInChI=1S/C21H13F6N5O2/c1-11-16(29-19(33)15-9-18(34-31-15)14-4-2-3-7-28-14)10-32(30-11)17-6-5-12(20(22,23)24)8-13(17)21(25,26)27/h2-10H,1H3,(H,29,33)
InChIKeyODLKJSFFPMCKGL-UHFFFAOYSA-N
XLogP5.52
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.36
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (CID 148744317) is N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-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]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is Cc1nn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccccn2)on1.
What is the InChIKey of N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ODLKJSFFPMCKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N5O2/c1-11-16(29-19(33)15-9-18(34-31-15)14-4-2-3-7-28-14)10-32(30-11)17-6-5-12(20(22,23)24)8-13(17)21(25,26)27/h2-10H,1H3,(H,29,33).
What are the key properties of N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 481.36 g/mol, XLogP of 5.52, 4 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]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 148744317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).