N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C18H17F3N4O3 — CID 146127190

IUPACN-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3c(C(F)(F)F)n[nH]c3C)co2)cc1
InChIInChI=1S/C18H17F3N4O3/c1-10-14(15(25-24-10)18(19,20)21)16(26)22-8-7-12-9-28-17(23-12)11-3-5-13(27-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyPTRKYFJXQBWAFI-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.37
Rot. Bonds6

About N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide

N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 146127190) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID146127190
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC NameN-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3c(C(F)(F)F)n[nH]c3C)co2)cc1
InChIInChI=1S/C18H17F3N4O3/c1-10-14(15(25-24-10)18(19,20)21)16(26)22-8-7-12-9-28-17(23-12)11-3-5-13(27-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyPTRKYFJXQBWAFI-UHFFFAOYSA-N
XLogP3.37
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide
CID 146152069
3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122824
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 146122184
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 146121971
3-methoxy-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122399
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 146125052
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 162564621
4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 146121961
4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564869
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2,4-dimethylbenzamide
CID 154805699
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51133290

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 146127190) is N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is COc1ccc(-c2nc(CCNC(=O)c3c(C(F)(F)F)n[nH]c3C)co2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PTRKYFJXQBWAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-10-14(15(25-24-10)18(19,20)21)16(26)22-8-7-12-9-28-17(23-12)11-3-5-13(27-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 146127190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).