2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C23H22N2O5 — CID 17253942

IUPAC2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NC1CCCc2ccccc21
InChIInChI=1S/C23H22N2O5/c26-23(24-19-7-3-5-15-4-1-2-6-18(15)19)13-27-12-17-11-21(30-25-17)16-8-9-20-22(10-16)29-14-28-20/h1-2,4,6,8-11,19H,3,5,7,12-14H2,(H,24,26)
InChIKeyRVRJWCGDSDRADP-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.78
Rot. Bonds6

About 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 17253942) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID17253942
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NC1CCCc2ccccc21
InChIInChI=1S/C23H22N2O5/c26-23(24-19-7-3-5-15-4-1-2-6-18(15)19)13-27-12-17-11-21(30-25-17)16-8-9-20-22(10-16)29-14-28-20/h1-2,4,6,8-11,19H,3,5,7,12-14H2,(H,24,26)
InChIKeyRVRJWCGDSDRADP-UHFFFAOYSA-N
XLogP3.78
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide
CID 20906168
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 17253886
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 17253978
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide
CID 17253918
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 7456949
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-1-(4-methylpiperidin-1-yl)ethanone
CID 20906173
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate
CID 18193989
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2449357
(2R)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2572670
N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 2853101
4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 30390580
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025583

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 17253942) is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NC1CCCc2ccccc21.
What is the InChIKey of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is RVRJWCGDSDRADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c26-23(24-19-7-3-5-15-4-1-2-6-18(15)19)13-27-12-17-11-21(30-25-17)16-8-9-20-22(10-16)29-14-28-20/h1-2,4,6,8-11,19H,3,5,7,12-14H2,(H,24,26).
What are the key properties of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 406.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 17253942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).