3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide

C16H13FN2O2 — CID 9403814

IUPAC3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide
SMILESO=C(CCc1nc2ccccc2o1)Nc1ccccc1F
InChIInChI=1S/C16H13FN2O2/c17-11-5-1-2-6-12(11)18-15(20)9-10-16-19-13-7-3-4-8-14(13)21-16/h1-8H,9-10H2,(H,18,20)
InChIKeyKMGGDUGKGNGGTO-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.54
Rot. Bonds4

About 3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide

3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide (PubChem CID 9403814) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide
PubChem CID9403814
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide
SMILESO=C(CCc1nc2ccccc2o1)Nc1ccccc1F
InChIInChI=1S/C16H13FN2O2/c17-11-5-1-2-6-12(11)18-15(20)9-10-16-19-13-7-3-4-8-14(13)21-16/h1-8H,9-10H2,(H,18,20)
InChIKeyKMGGDUGKGNGGTO-UHFFFAOYSA-N
XLogP3.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 9428837
4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide
CID 9404315
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]propanoic acid
CID 119238117
3-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 9427692
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8511680
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110711850
N-(2-fluorophenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330308
3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(4-chloro-2-fluorophenyl)propanamide
CID 50810529
3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 9404274
3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 9427574
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide
CID 100759410

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide (CID 9403814) is 3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide is O=C(CCc1nc2ccccc2o1)Nc1ccccc1F.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide?
The InChIKey is KMGGDUGKGNGGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-11-5-1-2-6-12(11)18-15(20)9-10-16-19-13-7-3-4-8-14(13)21-16/h1-8H,9-10H2,(H,18,20).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide?
3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide has a molecular weight of 284.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 9403814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).