(2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide

C15H17N3O2S — CID 8889608

IUPAC(2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)o1
InChIInChI=1S/C15H17N3O2S/c1-4-8-16-13(19)11(3)21-15-18-17-14(20-15)12-7-5-6-10(2)9-12/h4-7,9,11H,1,8H2,2-3H3,(H,16,19)/t11-/m1/s1
InChIKeyNSXKQXCSEXNZGN-LLVKDONJSA-N
MW303.39 g/mol
LogP2.83
Rot. Bonds6

About (2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide

(2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide (PubChem CID 8889608) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is (2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide
PubChem CID8889608
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name(2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)o1
InChIInChI=1S/C15H17N3O2S/c1-4-8-16-13(19)11(3)21-15-18-17-14(20-15)12-7-5-6-10(2)9-12/h4-7,9,11H,1,8H2,2-3H3,(H,16,19)/t11-/m1/s1
InChIKeyNSXKQXCSEXNZGN-LLVKDONJSA-N
XLogP2.83
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-carbamoyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7417426
(2S)-N-(4-ethylphenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7417155
(2S)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7826440
(2R)-N-(4-chlorophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7826483
(2R)-N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889642
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 9382607
(2S)-N-(3-fluorophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889599
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7826592
(2S)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 11917177
(2R)-N-(cyclopentylcarbamoyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889695
(2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7826443
(2S)-N-(1-cyanocyclohexyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7826546

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide (CID 8889608) is (2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)o1.
What is the InChIKey of (2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide?
The InChIKey is NSXKQXCSEXNZGN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-4-8-16-13(19)11(3)21-15-18-17-14(20-15)12-7-5-6-10(2)9-12/h4-7,9,11H,1,8H2,2-3H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide?
(2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide has a molecular weight of 303.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 8889608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).