N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide

C24H19N3O4 — CID 69009789

IUPACN-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1onc(-c2ccc3c(c2)OCO3)c1-c1ccncc1
InChIInChI=1S/C24H19N3O4/c28-21(9-6-16-4-2-1-3-5-16)26-24-22(17-10-12-25-13-11-17)23(27-31-24)18-7-8-19-20(14-18)30-15-29-19/h1-5,7-8,10-14H,6,9,15H2,(H,26,28)
InChIKeyQEYMTSNZKVKKKQ-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.70
Rot. Bonds6

About N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide

N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide (PubChem CID 69009789) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
PubChem CID69009789
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1onc(-c2ccc3c(c2)OCO3)c1-c1ccncc1
InChIInChI=1S/C24H19N3O4/c28-21(9-6-16-4-2-1-3-5-16)26-24-22(17-10-12-25-13-11-17)23(27-31-24)18-7-8-19-20(14-18)30-15-29-19/h1-5,7-8,10-14H,6,9,15H2,(H,26,28)
InChIKeyQEYMTSNZKVKKKQ-UHFFFAOYSA-N
XLogP4.70
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide with MolForge

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Related Compounds

N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174583821
N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 57417814
5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773973
N-[3-[5-(aminomethyl)-2-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174568894
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
CID 18674028
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417861
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 67198280
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 56661448
N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417789
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide (CID 69009789) is N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1onc(-c2ccc3c(c2)OCO3)c1-c1ccncc1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
The InChIKey is QEYMTSNZKVKKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c28-21(9-6-16-4-2-1-3-5-16)26-24-22(17-10-12-25-13-11-17)23(27-31-24)18-7-8-19-20(14-18)30-15-29-19/h1-5,7-8,10-14H,6,9,15H2,(H,26,28).
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide has a molecular weight of 413.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide is sourced from PubChem (CID 69009789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).