2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

C19H14N6O3S — CID 1018254

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCn1c(-c2nonc2NC(=O)CSc2nc3ccccc3o2)nc2ccccc21
InChIInChI=1S/C19H14N6O3S/c1-25-13-8-4-2-6-11(13)20-18(25)16-17(24-28-23-16)22-15(26)10-29-19-21-12-7-3-5-9-14(12)27-19/h2-9H,10H2,1H3,(H,22,24,26)
InChIKeyYDHGJTVPKJSZFX-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.50
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 1018254) has the molecular formula C19H14N6O3S and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID1018254
Molecular FormulaC19H14N6O3S
Molecular Weight406.43 g/mol
Exact Mass406.08
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCn1c(-c2nonc2NC(=O)CSc2nc3ccccc3o2)nc2ccccc21
InChIInChI=1S/C19H14N6O3S/c1-25-13-8-4-2-6-11(13)20-18(25)16-17(24-28-23-16)22-15(26)10-29-19-21-12-7-3-5-9-14(12)27-19/h2-9H,10H2,1H3,(H,22,24,26)
InChIKeyYDHGJTVPKJSZFX-UHFFFAOYSA-N
XLogP3.50
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 594100
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CID 7696701
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide
CID 742356
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]acetamide
CID 46855155
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 55632014
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
CID 708751
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 38114418
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide
CID 1118802
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 975863
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]acetamide
CID 22592140
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide
CID 12706412
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (CID 1018254) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is Cn1c(-c2nonc2NC(=O)CSc2nc3ccccc3o2)nc2ccccc21.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is YDHGJTVPKJSZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3S/c1-25-13-8-4-2-6-11(13)20-18(25)16-17(24-28-23-16)22-15(26)10-29-19-21-12-7-3-5-9-14(12)27-19/h2-9H,10H2,1H3,(H,22,24,26).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 406.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 1018254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).