(2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C17H17N3O3S — CID 30804818

IUPAC(2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1occc1-c1nnc(S[C@H](C)C(=O)NCc2ccccc2)o1
InChIInChI=1S/C17H17N3O3S/c1-11-14(8-9-22-11)16-19-20-17(23-16)24-12(2)15(21)18-10-13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyPQVYTYGNLQIBBQ-GFCCVEGCSA-N
MW343.41 g/mol
LogP3.44
Rot. Bonds6

About (2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 30804818) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID30804818
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name(2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1occc1-c1nnc(S[C@H](C)C(=O)NCc2ccccc2)o1
InChIInChI=1S/C17H17N3O3S/c1-11-14(8-9-22-11)16-19-20-17(23-16)24-12(2)15(21)18-10-13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyPQVYTYGNLQIBBQ-GFCCVEGCSA-N
XLogP3.44
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide with MolForge

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Related Compounds

(2S)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 30804819
N-[(2-methoxyphenyl)methyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78653631
(2R)-N-(2-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 92736123
(2R)-N-(ethylcarbamoyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 96555802
N-benzyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4815016
(2S)-N-benzyl-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7427460
N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78763834
(2R)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide
CID 8889736
N-(2-cyanophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78659499
(2R)-N-(benzylcarbamoyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8553430
N-(3-acetylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78659328
N-(3-chloro-2-methylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 20895073

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 30804818) is (2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is Cc1occc1-c1nnc(S[C@H](C)C(=O)NCc2ccccc2)o1.
What is the InChIKey of (2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is PQVYTYGNLQIBBQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-14(8-9-22-11)16-19-20-17(23-16)24-12(2)15(21)18-10-13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 343.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 30804818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).