3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide

C19H23N5O3S — CID 24789223

IUPAC3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide
SMILESCCCNC(=O)c1onc(CSc2nc3ccccc3[nH]2)c1C(=O)NCCC
InChIInChI=1S/C19H23N5O3S/c1-3-9-20-17(25)15-14(24-27-16(15)18(26)21-10-4-2)11-28-19-22-12-7-5-6-8-13(12)23-19/h5-8H,3-4,9-11H2,1-2H3,(H,20,25)(H,21,26)(H,22,23)
InChIKeyKDGHLFHYKSWXAN-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.12
Rot. Bonds9

About 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide

3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide (PubChem CID 24789223) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide
PubChem CID24789223
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide
SMILESCCCNC(=O)c1onc(CSc2nc3ccccc3[nH]2)c1C(=O)NCCC
InChIInChI=1S/C19H23N5O3S/c1-3-9-20-17(25)15-14(24-27-16(15)18(26)21-10-4-2)11-28-19-22-12-7-5-6-8-13(12)23-19/h5-8H,3-4,9-11H2,1-2H3,(H,20,25)(H,21,26)(H,22,23)
InChIKeyKDGHLFHYKSWXAN-UHFFFAOYSA-N
XLogP3.12
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-bis(3-methylbutyl)-1,2-oxazole-4,5-dicarboxamide
CID 24789227
4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide
CID 16682198
4-N,5-N-dibutyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide
CID 24747888
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(diethylamino)ethyl]benzamide
CID 30550229
9-[5-(1H-benzimidazol-2-ylsulfanyl)pentyl]-N-propylfluorene-9-carboxamide
CID 22891311
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-dipropylbenzamide
CID 60520349
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-hydroxypropyl)benzamide
CID 78796351
1-(1H-benzimidazol-2-ylsulfanyl)-3-(propylamino)propan-2-ol
CID 43166361
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(4-methoxybutyl)benzamide
CID 55724972
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-phenoxyethyl)benzamide
CID 27758091
5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole
CID 30469751

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide?
The IUPAC name of 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide (CID 24789223) is 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide?
The canonical SMILES for 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide is CCCNC(=O)c1onc(CSc2nc3ccccc3[nH]2)c1C(=O)NCCC.
What is the InChIKey of 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide?
The InChIKey is KDGHLFHYKSWXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-3-9-20-17(25)15-14(24-27-16(15)18(26)21-10-4-2)11-28-19-22-12-7-5-6-8-13(12)23-19/h5-8H,3-4,9-11H2,1-2H3,(H,20,25)(H,21,26)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide?
3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.12, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide is sourced from PubChem (CID 24789223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).