(2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide

C16H19FN2O2S — CID 40810328

IUPAC(2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H19FN2O2S/c1-10(14(20)19-16(2,3)4)22-15-18-9-13(21-15)11-5-7-12(17)8-6-11/h5-10H,1-4H3,(H,19,20)/t10-/m0/s1
InChIKeyJIJGHVSSZXIYDG-JTQLQIEISA-N
MW322.41 g/mol
LogP3.88
Rot. Bonds4

About (2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide

(2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide (PubChem CID 40810328) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide
PubChem CID40810328
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC Name(2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H19FN2O2S/c1-10(14(20)19-16(2,3)4)22-15-18-9-13(21-15)11-5-7-12(17)8-6-11/h5-10H,1-4H3,(H,19,20)/t10-/m0/s1
InChIKeyJIJGHVSSZXIYDG-JTQLQIEISA-N
XLogP3.88
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoate
CID 75866644
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 55495534
1-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 46692867
N-benzyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methylpropanamide
CID 42932713
N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide
CID 46623153
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46692849
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate
CID 8995464
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-tert-butylpropanamide
CID 24500657
N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773798
N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
CID 47159240
(2S)-2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 27373770
(2S)-N-(tert-butylcarbamoyl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 27976356

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide (CID 40810328) is (2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide is C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide?
The InChIKey is JIJGHVSSZXIYDG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-10(14(20)19-16(2,3)4)22-15-18-9-13(21-15)11-5-7-12(17)8-6-11/h5-10H,1-4H3,(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide?
(2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 40810328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).