(2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C17H15FN4O2S — CID 92736148

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H15FN4O2S/c1-11(15(23)20-10-12-2-4-14(18)5-3-12)25-17-22-21-16(24-17)13-6-8-19-9-7-13/h2-9,11H,10H2,1H3,(H,20,23)/t11-/m0/s1
InChIKeyZUMOKIQCQXRYQP-NSHDSACASA-N
MW358.40 g/mol
LogP3.07
Rot. Bonds6

About (2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

(2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 92736148) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID92736148
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H15FN4O2S/c1-11(15(23)20-10-12-2-4-14(18)5-3-12)25-17-22-21-16(24-17)13-6-8-19-9-7-13/h2-9,11H,10H2,1H3,(H,20,23)/t11-/m0/s1
InChIKeyZUMOKIQCQXRYQP-NSHDSACASA-N
XLogP3.07
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide with MolForge

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Related Compounds

(2R)-N-[(4-methylphenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
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(2S)-N-(4-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
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(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
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N-[(4-fluorophenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
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N-(3,5-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
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(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 92736148) is (2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is C[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is ZUMOKIQCQXRYQP-NSHDSACASA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-11(15(23)20-10-12-2-4-14(18)5-3-12)25-17-22-21-16(24-17)13-6-8-19-9-7-13/h2-9,11H,10H2,1H3,(H,20,23)/t11-/m0/s1.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
(2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 358.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 92736148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).