3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide

C18H16FN3O3S — CID 9428837

IUPAC3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
SMILESO=C(CCc1nc2ccccc2o1)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C18H16FN3O3S/c19-12-5-1-4-8-15(12)26-11-17(24)22-21-16(23)9-10-18-20-13-6-2-3-7-14(13)25-18/h1-8H,9-11H2,(H,21,23)(H,22,24)
InChIKeyCXVFNOZZUNRDFF-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.84
Rot. Bonds6

About 3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide

3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide (PubChem CID 9428837) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
PubChem CID9428837
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
SMILESO=C(CCc1nc2ccccc2o1)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C18H16FN3O3S/c19-12-5-1-4-8-15(12)26-11-17(24)22-21-16(23)9-10-18-20-13-6-2-3-7-14(13)25-18/h1-8H,9-11H2,(H,21,23)(H,22,24)
InChIKeyCXVFNOZZUNRDFF-UHFFFAOYSA-N
XLogP2.84
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide
CID 9403814
3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 100510503
N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
CID 7780075
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 9417849
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]propanoic acid
CID 119238117
N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide
CID 9428049
4-[3-(1,3-benzoxazol-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201127
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid
CID 119213480
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471530
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide
CID 7969966
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8511680

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide (CID 9428837) is 3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide is O=C(CCc1nc2ccccc2o1)NNC(=O)CSc1ccccc1F.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide?
The InChIKey is CXVFNOZZUNRDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-12-5-1-4-8-15(12)26-11-17(24)22-21-16(23)9-10-18-20-13-6-2-3-7-14(13)25-18/h1-8H,9-11H2,(H,21,23)(H,22,24).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide?
3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide has a molecular weight of 373.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide is sourced from PubChem (CID 9428837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).