N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

C15H13F3N4O4 — CID 100617007

IUPACN-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCc1c(C(F)(F)F)noc1NC(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C15H13F3N4O4/c1-2-8-12(15(16,17)18)21-26-14(8)19-10(23)5-6-11-20-13(22-25-11)9-4-3-7-24-9/h3-4,7H,2,5-6H2,1H3,(H,19,23)
InChIKeyHXECATCIDJQDRO-UHFFFAOYSA-N
MW370.29 g/mol
LogP3.47
Rot. Bonds6

About N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 100617007) has the molecular formula C15H13F3N4O4 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID100617007
Molecular FormulaC15H13F3N4O4
Molecular Weight370.29 g/mol
Exact Mass370.09
IUPAC NameN-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCc1c(C(F)(F)F)noc1NC(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C15H13F3N4O4/c1-2-8-12(15(16,17)18)21-26-14(8)19-10(23)5-6-11-20-13(22-25-11)9-4-3-7-24-9/h3-4,7H,2,5-6H2,1H3,(H,19,23)
InChIKeyHXECATCIDJQDRO-UHFFFAOYSA-N
XLogP3.47
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 100617007) is N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is CCc1c(C(F)(F)F)noc1NC(=O)CCc1nc(-c2ccco2)no1.
What is the InChIKey of N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is HXECATCIDJQDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O4/c1-2-8-12(15(16,17)18)21-26-14(8)19-10(23)5-6-11-20-13(22-25-11)9-4-3-7-24-9/h3-4,7H,2,5-6H2,1H3,(H,19,23).
What are the key properties of N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 370.29 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 100617007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).