3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide

C25H21FN2O3 — CID 24608720

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide
SMILESCc1cccc(Oc2ccccc2NC(=O)CCc2ncc(-c3ccccc3F)o2)c1
InChIInChI=1S/C25H21FN2O3/c1-17-7-6-8-18(15-17)30-22-12-5-4-11-21(22)28-24(29)13-14-25-27-16-23(31-25)19-9-2-3-10-20(19)26/h2-12,15-16H,13-14H2,1H3,(H,28,29)
InChIKeyAPCNETOYBYOYRQ-UHFFFAOYSA-N
MW416.45 g/mol
LogP6.15
Rot. Bonds7

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide (PubChem CID 24608720) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide
PubChem CID24608720
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide
SMILESCc1cccc(Oc2ccccc2NC(=O)CCc2ncc(-c3ccccc3F)o2)c1
InChIInChI=1S/C25H21FN2O3/c1-17-7-6-8-18(15-17)30-22-12-5-4-11-21(22)28-24(29)13-14-25-27-16-23(31-25)19-9-2-3-10-20(19)26/h2-12,15-16H,13-14H2,1H3,(H,28,29)
InChIKeyAPCNETOYBYOYRQ-UHFFFAOYSA-N
XLogP6.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.45
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46538866
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
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N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16593328
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 18280238
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 17437155
N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591581
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 16591529
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 16593036
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 26124906
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 29496795

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide (CID 24608720) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide is Cc1cccc(Oc2ccccc2NC(=O)CCc2ncc(-c3ccccc3F)o2)c1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide?
The InChIKey is APCNETOYBYOYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-17-7-6-8-18(15-17)30-22-12-5-4-11-21(22)28-24(29)13-14-25-27-16-23(31-25)19-9-2-3-10-20(19)26/h2-12,15-16H,13-14H2,1H3,(H,28,29).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide has a molecular weight of 416.45 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide is sourced from PubChem (CID 24608720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).