2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C19H15FN4O3S — CID 55495534

IUPAC2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H15FN4O3S/c1-10(17(25)22-13-6-7-14-15(8-13)24-18(26)23-14)28-19-21-9-16(27-19)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyQQBBXVQTOVQEJX-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.77
Rot. Bonds5

About 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 55495534) has the molecular formula C19H15FN4O3S and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID55495534
Molecular FormulaC19H15FN4O3S
Molecular Weight398.42 g/mol
Exact Mass398.08
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H15FN4O3S/c1-10(17(25)22-13-6-7-14-15(8-13)24-18(26)23-14)28-19-21-9-16(27-19)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyQQBBXVQTOVQEJX-UHFFFAOYSA-N
XLogP3.77
TPSA103.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide
CID 40810328
methyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoate
CID 75866644
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 51236618
(2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide
CID 40821848
2-(4-acetamidophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 46630247
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8948756
(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8977933
(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8943402
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26700139
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8736548
5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 71991004

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 55495534) is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CC(Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is QQBBXVQTOVQEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S/c1-10(17(25)22-13-6-7-14-15(8-13)24-18(26)23-14)28-19-21-9-16(27-19)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 398.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 55495534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).