N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide

C18H19F3N2O3 — CID 144608757

IUPACN-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cc(C2CC(Oc3ccc(C(F)(F)F)cc3)C2)no1
InChIInChI=1S/C18H19F3N2O3/c1-10(22-11(2)24)17-9-16(23-26-17)12-7-15(8-12)25-14-5-3-13(4-6-14)18(19,20)21/h3-6,9-10,12,15H,7-8H2,1-2H3,(H,22,24)/t10-,12?,15?/m0/s1
InChIKeyCSXNWBHWISTOSL-VLRKGOCCSA-N
MW368.36 g/mol
LogP4.22
Rot. Bonds5

About N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide

N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 144608757) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID144608757
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC NameN-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cc(C2CC(Oc3ccc(C(F)(F)F)cc3)C2)no1
InChIInChI=1S/C18H19F3N2O3/c1-10(22-11(2)24)17-9-16(23-26-17)12-7-15(8-12)25-14-5-3-13(4-6-14)18(19,20)21/h3-6,9-10,12,15H,7-8H2,1-2H3,(H,22,24)/t10-,12?,15?/m0/s1
InChIKeyCSXNWBHWISTOSL-VLRKGOCCSA-N
XLogP4.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 144608757) is N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide is CC(=O)N[C@@H](C)c1cc(C2CC(Oc3ccc(C(F)(F)F)cc3)C2)no1.
What is the InChIKey of N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is CSXNWBHWISTOSL-VLRKGOCCSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-10(22-11(2)24)17-9-16(23-26-17)12-7-15(8-12)25-14-5-3-13(4-6-14)18(19,20)21/h3-6,9-10,12,15H,7-8H2,1-2H3,(H,22,24)/t10-,12?,15?/m0/s1.
What are the key properties of N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[3-[4-(trifluoromethyl)phenoxy]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 144608757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).