N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H18N4O3S — CID 3585809

IUPACN-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1[nH]c2ccccc2c1Cc1nnc(SCC(=O)NCc2ccco2)o1
InChIInChI=1S/C19H18N4O3S/c1-12-15(14-6-2-3-7-16(14)21-12)9-18-22-23-19(26-18)27-11-17(24)20-10-13-5-4-8-25-13/h2-8,21H,9-11H2,1H3,(H,20,24)
InChIKeyDGFNGSMGHPFNGO-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.45
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3585809) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3585809
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1[nH]c2ccccc2c1Cc1nnc(SCC(=O)NCc2ccco2)o1
InChIInChI=1S/C19H18N4O3S/c1-12-15(14-6-2-3-7-16(14)21-12)9-18-22-23-19(26-18)27-11-17(24)20-10-13-5-4-8-25-13/h2-8,21H,9-11H2,1H3,(H,20,24)
InChIKeyDGFNGSMGHPFNGO-UHFFFAOYSA-N
XLogP3.45
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3585809) is N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1[nH]c2ccccc2c1Cc1nnc(SCC(=O)NCc2ccco2)o1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is DGFNGSMGHPFNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12-15(14-6-2-3-7-16(14)21-12)9-18-22-23-19(26-18)27-11-17(24)20-10-13-5-4-8-25-13/h2-8,21H,9-11H2,1H3,(H,20,24).
What are the key properties of N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 382.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3585809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).