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

C16H12F4N4O2 — CID 90395907

IUPACN-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
InChIInChI=1S/C16H12F4N4O2/c1-8-14(26-7-21-8)15(25)22-9-3-4-10(11(17)5-9)12-6-13(16(18,19)20)23-24(12)2/h3-7H,1-2H3,(H,22,25)
InChIKeyJVKXSTQOKLSUCR-UHFFFAOYSA-N
MW368.29 g/mol
LogP3.79
Rot. Bonds3

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

N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 90395907) has the molecular formula C16H12F4N4O2 and a molecular weight of 368.29 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID90395907
Molecular FormulaC16H12F4N4O2
Molecular Weight368.29 g/mol
Exact Mass368.09
IUPAC NameN-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
InChIInChI=1S/C16H12F4N4O2/c1-8-14(26-7-21-8)15(25)22-9-3-4-10(11(17)5-9)12-6-13(16(18,19)20)23-24(12)2/h3-7H,1-2H3,(H,22,25)
InChIKeyJVKXSTQOKLSUCR-UHFFFAOYSA-N
XLogP3.79
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 90395907) is N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is JVKXSTQOKLSUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O2/c1-8-14(26-7-21-8)15(25)22-9-3-4-10(11(17)5-9)12-6-13(16(18,19)20)23-24(12)2/h3-7H,1-2H3,(H,22,25).
What are the key properties of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 368.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 90395907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).