N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H16N2O5 — CID 3158151

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CC(c2ccccc2O)=NO1
InChIInChI=1S/C18H16N2O5/c21-14-4-2-1-3-12(14)13-8-17(25-20-13)18(22)19-9-11-5-6-15-16(7-11)24-10-23-15/h1-7,17,21H,8-10H2,(H,19,22)
InChIKeyCVRVTUHMAJORTJ-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.93
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3158151) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3158151
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CC(c2ccccc2O)=NO1
InChIInChI=1S/C18H16N2O5/c21-14-4-2-1-3-12(14)13-8-17(25-20-13)18(22)19-9-11-5-6-15-16(7-11)24-10-23-15/h1-7,17,21H,8-10H2,(H,19,22)
InChIKeyCVRVTUHMAJORTJ-UHFFFAOYSA-N
XLogP1.93
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2962243
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CID 9738924
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CID 12005508
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CID 2962187
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CID 9611584
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CID 17095835
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CID 45353701
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3158151) is N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccc2c(c1)OCO2)C1CC(c2ccccc2O)=NO1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CVRVTUHMAJORTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-14-4-2-1-3-12(14)13-8-17(25-20-13)18(22)19-9-11-5-6-15-16(7-11)24-10-23-15/h1-7,17,21H,8-10H2,(H,19,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3158151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).