N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C21H20N2O4 — CID 47017345

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)NCC1COc2ccccc2O1
InChIInChI=1S/C21H20N2O4/c24-20(22-12-16-14-25-17-8-4-5-9-18(17)26-16)10-11-21-23-13-19(27-21)15-6-2-1-3-7-15/h1-9,13,16H,10-12,14H2,(H,22,24)
InChIKeyJRUXVUWOHIRMEH-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.23
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 47017345) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID47017345
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)NCC1COc2ccccc2O1
InChIInChI=1S/C21H20N2O4/c24-20(22-12-16-14-25-17-8-4-5-9-18(17)26-16)10-11-21-23-13-19(27-21)15-6-2-1-3-7-15/h1-9,13,16H,10-12,14H2,(H,22,24)
InChIKeyJRUXVUWOHIRMEH-UHFFFAOYSA-N
XLogP3.23
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 24595469
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793728
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide;hydrochloride
CID 119266203
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30531633
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenylsulfanylpropanamide
CID 2453420
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 118770034
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 56910837
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532725
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine
CID 111799630

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 47017345) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1ncc(-c2ccccc2)o1)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is JRUXVUWOHIRMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-20(22-12-16-14-25-17-8-4-5-9-18(17)26-16)10-11-21-23-13-19(27-21)15-6-2-1-3-7-15/h1-9,13,16H,10-12,14H2,(H,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 364.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 47017345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).