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

C18H19N5O3S — CID 16587947

IUPAC2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CSc2nccn2C2CC2)n1
InChIInChI=1S/C18H19N5O3S/c1-25-14-5-3-2-4-13(14)20-16(24)10-15-21-17(26-22-15)11-27-18-19-8-9-23(18)12-6-7-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,24)
InChIKeyBZHCOIWCGDPVLX-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.08
Rot. Bonds8

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

2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 16587947) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID16587947
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CSc2nccn2C2CC2)n1
InChIInChI=1S/C18H19N5O3S/c1-25-14-5-3-2-4-13(14)20-16(24)10-15-21-17(26-22-15)11-27-18-19-8-9-23(18)12-6-7-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,24)
InChIKeyBZHCOIWCGDPVLX-UHFFFAOYSA-N
XLogP3.08
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 17431109
N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 4965395
2-[5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 2497203
2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 27100650
2-[5-[[4-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 4842918
2-[5-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16586875
N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 43027762
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 16587969
N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 51924806
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
N-(2-methoxyphenyl)-2-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835117
2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 30008699

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (CID 16587947) is 2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cc1noc(CSc2nccn2C2CC2)n1.
What is the InChIKey of 2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is BZHCOIWCGDPVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-25-14-5-3-2-4-13(14)20-16(24)10-15-21-17(26-22-15)11-27-18-19-8-9-23(18)12-6-7-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,24).
What are the key properties of 2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 16587947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).