N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C19H17N5O2S — CID 42974238

IUPACN-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(-c2cccnc2)o1)C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C19H17N5O2S/c1-14(18(25)24(12-6-10-20)16-8-3-2-4-9-16)27-19-23-22-17(26-19)15-7-5-11-21-13-15/h2-5,7-9,11,13-14H,6,12H2,1H3
InChIKeyGXTOOWRESMKVIP-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.56
Rot. Bonds7

About N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 42974238) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID42974238
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(-c2cccnc2)o1)C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C19H17N5O2S/c1-14(18(25)24(12-6-10-20)16-8-3-2-4-9-16)27-19-23-22-17(26-19)15-7-5-11-21-13-15/h2-5,7-9,11,13-14H,6,12H2,1H3
InChIKeyGXTOOWRESMKVIP-UHFFFAOYSA-N
XLogP3.56
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(2-cyanoethyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 7826452
(2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylpropanamide
CID 7420219
(2S)-N-ethyl-N-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2673980
(2S)-N-(2-cyanoethyl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 7786223
(2R)-N-(2-cyanoethyl)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762387
(2S)-N-(2-cyanoethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide
CID 7866721
(2R)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenylpropanamide
CID 7845435
(2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
CID 7879243
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-phenylpropanamide
CID 7756907
(2R)-N-(4-propan-2-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7879245
(2R)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenylpropanamide
CID 41189981
(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7879197

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 42974238) is N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is CC(Sc1nnc(-c2cccnc2)o1)C(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is GXTOOWRESMKVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-14(18(25)24(12-6-10-20)16-8-3-2-4-9-16)27-19-23-22-17(26-19)15-7-5-11-21-13-15/h2-5,7-9,11,13-14H,6,12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 379.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 42974238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).