(2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide

C17H16FN3O3S — CID 92886975

IUPAC(2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@@H](SCc1nc(-c2ccc(F)cc2)no1)C(=O)NCc1ccco1
InChIInChI=1S/C17H16FN3O3S/c1-11(17(22)19-9-14-3-2-8-23-14)25-10-15-20-16(21-24-15)12-4-6-13(18)7-5-12/h2-8,11H,9-10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyYARJRRAISGLMCP-LLVKDONJSA-N
MW361.40 g/mol
LogP3.41
Rot. Bonds7

About (2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide

(2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 92886975) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is (2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
PubChem CID92886975
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name(2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@@H](SCc1nc(-c2ccc(F)cc2)no1)C(=O)NCc1ccco1
InChIInChI=1S/C17H16FN3O3S/c1-11(17(22)19-9-14-3-2-8-23-14)25-10-15-20-16(21-24-15)12-4-6-13(18)7-5-12/h2-8,11H,9-10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyYARJRRAISGLMCP-LLVKDONJSA-N
XLogP3.41
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 50759779
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide
CID 46385483
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 110029258
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propan-1-amine
CID 66218111
N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide
CID 97089602
N-(furan-2-ylmethyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267095
2-benzylsulfanyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132655000
N-[(2-chlorophenyl)methyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
CID 42948809
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 43051158
(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 97267211
(2S)-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 7876404

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide (CID 92886975) is (2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide is C[C@@H](SCc1nc(-c2ccc(F)cc2)no1)C(=O)NCc1ccco1.
What is the InChIKey of (2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is YARJRRAISGLMCP-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-11(17(22)19-9-14-3-2-8-23-14)25-10-15-20-16(21-24-15)12-4-6-13(18)7-5-12/h2-8,11H,9-10H2,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of (2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide?
(2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 361.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 92886975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).