N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide

C15H14N2O4 — CID 27370128

IUPACN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)C1CC1
InChIInChI=1S/C15H14N2O4/c18-15(9-1-2-9)16-7-11-6-13(21-17-11)10-3-4-12-14(5-10)20-8-19-12/h3-6,9H,1-2,7-8H2,(H,16,18)
InChIKeyGJSLCXGLYPNPRW-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.10
Rot. Bonds4

About N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide

N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 27370128) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
PubChem CID27370128
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)C1CC1
InChIInChI=1S/C15H14N2O4/c18-15(9-1-2-9)16-7-11-6-13(21-17-11)10-3-4-12-14(5-10)20-8-19-12/h3-6,9H,1-2,7-8H2,(H,16,18)
InChIKeyGJSLCXGLYPNPRW-UHFFFAOYSA-N
XLogP2.10
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 30850612
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 27370196
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-fluoroprop-2-enamide
CID 166432299
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopentanecarboxamide
CID 16867224
1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093365
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 27370184
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 27370168
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
CID 50757777
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370057
4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 16867353
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide (CID 27370128) is N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide is O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)C1CC1.
What is the InChIKey of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is GJSLCXGLYPNPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-15(9-1-2-9)16-7-11-6-13(21-17-11)10-3-4-12-14(5-10)20-8-19-12/h3-6,9H,1-2,7-8H2,(H,16,18).
What are the key properties of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide?
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 286.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 27370128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).