N-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide

C20H24F2N2O3 — CID 144608721

IUPACN-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCCCc1cc(F)c(OC2CC(c3cc([C@H](C)NC(C)=O)on3)C2)c(F)c1
InChIInChI=1S/C20H24F2N2O3/c1-4-5-13-6-16(21)20(17(22)7-13)26-15-8-14(9-15)18-10-19(27-24-18)11(2)23-12(3)25/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3,(H,23,25)/t11-,14?,15?/m0/s1
InChIKeyCYQVNDFRHLFOMC-QGLTVNCISA-N
MW378.42 g/mol
LogP4.43
Rot. Bonds7

About N-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide

N-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 144608721) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID144608721
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC NameN-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCCCc1cc(F)c(OC2CC(c3cc([C@H](C)NC(C)=O)on3)C2)c(F)c1
InChIInChI=1S/C20H24F2N2O3/c1-4-5-13-6-16(21)20(17(22)7-13)26-15-8-14(9-15)18-10-19(27-24-18)11(2)23-12(3)25/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3,(H,23,25)/t11-,14?,15?/m0/s1
InChIKeyCYQVNDFRHLFOMC-QGLTVNCISA-N
XLogP4.43
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.43
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-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 144608721) is N-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide is CCCc1cc(F)c(OC2CC(c3cc([C@H](C)NC(C)=O)on3)C2)c(F)c1.
What is the InChIKey of N-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is CYQVNDFRHLFOMC-QGLTVNCISA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-4-5-13-6-16(21)20(17(22)7-13)26-15-8-14(9-15)18-10-19(27-24-18)11(2)23-12(3)25/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3,(H,23,25)/t11-,14?,15?/m0/s1.
What are the key properties of N-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[(1S)-1-[3-[3-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 378.42 g/mol, XLogP of 4.43, 7 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-(2,6-difluoro-4-propylphenoxy)cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 144608721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).