3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide

C18H22F2N2O2 — CID 99839620

IUPAC3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide
SMILESCC(C)(C)c1cnc(CCC(=O)NCCc2cc(F)ccc2F)o1
InChIInChI=1S/C18H22F2N2O2/c1-18(2,3)15-11-22-17(24-15)7-6-16(23)21-9-8-12-10-13(19)4-5-14(12)20/h4-5,10-11H,6-9H2,1-3H3,(H,21,23)
InChIKeyWAQJTSMDASRQKF-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.54
Rot. Bonds6

About 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide

3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide (PubChem CID 99839620) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide
PubChem CID99839620
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide
SMILESCC(C)(C)c1cnc(CCC(=O)NCCc2cc(F)ccc2F)o1
InChIInChI=1S/C18H22F2N2O2/c1-18(2,3)15-11-22-17(24-15)7-6-16(23)21-9-8-12-10-13(19)4-5-14(12)20/h4-5,10-11H,6-9H2,1-3H3,(H,21,23)
InChIKeyWAQJTSMDASRQKF-UHFFFAOYSA-N
XLogP3.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide (CID 99839620) is 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide is CC(C)(C)c1cnc(CCC(=O)NCCc2cc(F)ccc2F)o1.
What is the InChIKey of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide?
The InChIKey is WAQJTSMDASRQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c1-18(2,3)15-11-22-17(24-15)7-6-16(23)21-9-8-12-10-13(19)4-5-14(12)20/h4-5,10-11H,6-9H2,1-3H3,(H,21,23).
What are the key properties of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide?
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide has a molecular weight of 336.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(2,5-difluorophenyl)ethyl]propanamide is sourced from PubChem (CID 99839620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).