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

C17H15N5O3S — CID 73054184

IUPACN-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)o2)c1
InChIInChI=1S/C17H15N5O3S/c1-24-14-4-2-3-12(9-14)10-19-20-15(23)11-26-17-22-21-16(25-17)13-5-7-18-8-6-13/h2-10H,11H2,1H3,(H,20,23)/b19-10+
InChIKeyLBOSBSGBUFQSIN-VXLYETTFSA-N
MW369.41 g/mol
LogP2.38
Rot. Bonds7

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

N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 73054184) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID73054184
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)o2)c1
InChIInChI=1S/C17H15N5O3S/c1-24-14-4-2-3-12(9-14)10-19-20-15(23)11-26-17-22-21-16(25-17)13-5-7-18-8-6-13/h2-10H,11H2,1H3,(H,20,23)/b19-10+
InChIKeyLBOSBSGBUFQSIN-VXLYETTFSA-N
XLogP2.38
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 73054184) is N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)o2)c1.
What is the InChIKey of N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is LBOSBSGBUFQSIN-VXLYETTFSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-24-14-4-2-3-12(9-14)10-19-20-15(23)11-26-17-22-21-16(25-17)13-5-7-18-8-6-13/h2-10H,11H2,1H3,(H,20,23)/b19-10+.
What are the key properties of N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 369.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 73054184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).