3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide

C22H19FN4O2S — CID 55497254

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide
SMILESCn1ccnc1Sc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C22H19FN4O2S/c1-27-13-12-24-22(27)30-16-8-6-15(7-9-16)26-20(28)10-11-21-25-14-19(29-21)17-4-2-3-5-18(17)23/h2-9,12-14H,10-11H2,1H3,(H,26,28)
InChIKeyFSMVSGDNEWOPGF-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.94
Rot. Bonds7

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide (PubChem CID 55497254) has the molecular formula C22H19FN4O2S and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide
PubChem CID55497254
Molecular FormulaC22H19FN4O2S
Molecular Weight422.49 g/mol
Exact Mass422.12
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide
SMILESCn1ccnc1Sc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C22H19FN4O2S/c1-27-13-12-24-22(27)30-16-8-6-15(7-9-16)26-20(28)10-11-21-25-14-19(29-21)17-4-2-3-5-18(17)23/h2-9,12-14H,10-11H2,1H3,(H,26,28)
InChIKeyFSMVSGDNEWOPGF-UHFFFAOYSA-N
XLogP4.94
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
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3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
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3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
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N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
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N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
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3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide (CID 55497254) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide is Cn1ccnc1Sc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide?
The InChIKey is FSMVSGDNEWOPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S/c1-27-13-12-24-22(27)30-16-8-6-15(7-9-16)26-20(28)10-11-21-25-14-19(29-21)17-4-2-3-5-18(17)23/h2-9,12-14H,10-11H2,1H3,(H,26,28).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide has a molecular weight of 422.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide is sourced from PubChem (CID 55497254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).