N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide

C14H19F3N2O4S — CID 143964642

IUPACN-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide
SMILESCC(C)(C(=O)Nc1cc(C2(O)CC2)no1)S(=O)CCCC(F)(F)F
InChIInChI=1S/C14H19F3N2O4S/c1-12(2,24(22)7-3-4-14(15,16)17)11(20)18-10-8-9(19-23-10)13(21)5-6-13/h8,21H,3-7H2,1-2H3,(H,18,20)
InChIKeyFFLWZDPRHDAKIB-UHFFFAOYSA-N
MW368.38 g/mol
LogP2.46
Rot. Bonds7

About N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide

N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide (PubChem CID 143964642) has the molecular formula C14H19F3N2O4S and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide.

Molecular Properties

Compound NameN-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide
PubChem CID143964642
Molecular FormulaC14H19F3N2O4S
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC NameN-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide
SMILESCC(C)(C(=O)Nc1cc(C2(O)CC2)no1)S(=O)CCCC(F)(F)F
InChIInChI=1S/C14H19F3N2O4S/c1-12(2,24(22)7-3-4-14(15,16)17)11(20)18-10-8-9(19-23-10)13(21)5-6-13/h8,21H,3-7H2,1-2H3,(H,18,20)
InChIKeyFFLWZDPRHDAKIB-UHFFFAOYSA-N
XLogP2.46
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide?
The IUPAC name of N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide (CID 143964642) is N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide.
What is the SMILES notation for N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide?
The canonical SMILES for N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide is CC(C)(C(=O)Nc1cc(C2(O)CC2)no1)S(=O)CCCC(F)(F)F.
What is the InChIKey of N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide?
The InChIKey is FFLWZDPRHDAKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O4S/c1-12(2,24(22)7-3-4-14(15,16)17)11(20)18-10-8-9(19-23-10)13(21)5-6-13/h8,21H,3-7H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide?
N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide has a molecular weight of 368.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxycyclopropyl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide is sourced from PubChem (CID 143964642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).