N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C18H17N5O2S — CID 6290902

IUPACN-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESC/C(Cc1ccccc1)=N\NC(=O)CSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C18H17N5O2S/c1-13(11-14-5-3-2-4-6-14)20-21-16(24)12-26-18-23-22-17(25-18)15-7-9-19-10-8-15/h2-10H,11-12H2,1H3,(H,21,24)/b20-13+
InChIKeyUXQRLOOWSXQTNP-DEDYPNTBSA-N
MW367.43 g/mol
LogP2.96
Rot. Bonds7

About N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 6290902) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID6290902
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESC/C(Cc1ccccc1)=N\NC(=O)CSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C18H17N5O2S/c1-13(11-14-5-3-2-4-6-14)20-21-16(24)12-26-18-23-22-17(25-18)15-7-9-19-10-8-15/h2-10H,11-12H2,1H3,(H,21,24)/b20-13+
InChIKeyUXQRLOOWSXQTNP-DEDYPNTBSA-N
XLogP2.96
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 6393108
N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78762625
N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2342347
N-[(2-bromophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 20895016
N-naphthalen-2-yl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4273230
2-[[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
CID 177397947
N-(2-methoxyethyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7658202
4-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 134066941
N-(3-ethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4541502
N-benzyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 758301
N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide
CID 155537695
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 6290902) is N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is C/C(Cc1ccccc1)=N\NC(=O)CSc1nnc(-c2ccncc2)o1.
What is the InChIKey of N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is UXQRLOOWSXQTNP-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-13(11-14-5-3-2-4-6-14)20-21-16(24)12-26-18-23-22-17(25-18)15-7-9-19-10-8-15/h2-10H,11-12H2,1H3,(H,21,24)/b20-13+.
What are the key properties of N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 6290902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).