3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H17F3N4O3 — CID 17095947

IUPAC3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)c1C
InChIInChI=1S/C17H17F3N4O3/c1-3-24-10(2)13(9-21-24)14-8-15(27-23-14)16(25)22-11-4-6-12(7-5-11)26-17(18,19)20/h4-7,9,15H,3,8H2,1-2H3,(H,22,25)
InChIKeyPPXFSNFCOOGSJL-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.24
Rot. Bonds5

About 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095947) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095947
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)c1C
InChIInChI=1S/C17H17F3N4O3/c1-3-24-10(2)13(9-21-24)14-8-15(27-23-14)16(25)22-11-4-6-12(7-5-11)26-17(18,19)20/h4-7,9,15H,3,8H2,1-2H3,(H,22,25)
InChIKeyPPXFSNFCOOGSJL-UHFFFAOYSA-N
XLogP3.24
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095947) is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1ncc(C2=NOC(C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)c1C.
What is the InChIKey of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is PPXFSNFCOOGSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-3-24-10(2)13(9-21-24)14-8-15(27-23-14)16(25)22-11-4-6-12(7-5-11)26-17(18,19)20/h4-7,9,15H,3,8H2,1-2H3,(H,22,25).
What are the key properties of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).