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

C14H17N3O3S — CID 6463398

IUPACN-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)o1
InChIInChI=1S/C14H17N3O3S/c1-3-4-13-16-17-14(20-13)21-9-12(18)15-10-5-7-11(19-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyIGDLFBMSKBWHDB-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.76
Rot. Bonds7

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

N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 6463398) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID6463398
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)o1
InChIInChI=1S/C14H17N3O3S/c1-3-4-13-16-17-14(20-13)21-9-12(18)15-10-5-7-11(19-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyIGDLFBMSKBWHDB-UHFFFAOYSA-N
XLogP2.76
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 6463398) is N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)o1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is IGDLFBMSKBWHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-4-13-16-17-14(20-13)21-9-12(18)15-10-5-7-11(19-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,15,18).
What are the key properties of N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 307.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 6463398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).