N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C19H16ClN3O4 — CID 55759258

IUPACN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc(-c2cccnc2)on1
InChIInChI=1S/C19H16ClN3O4/c20-14-8-12(9-17-18(14)26-7-6-25-17)3-5-22-19(24)15-10-16(27-23-15)13-2-1-4-21-11-13/h1-2,4,8-11H,3,5-7H2,(H,22,24)
InChIKeyZFYBXZOKQBWQQQ-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 55759258) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID55759258
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc(-c2cccnc2)on1
InChIInChI=1S/C19H16ClN3O4/c20-14-8-12(9-17-18(14)26-7-6-25-17)3-5-22-19(24)15-10-16(27-23-15)13-2-1-4-21-11-13/h1-2,4,8-11H,3,5-7H2,(H,22,24)
InChIKeyZFYBXZOKQBWQQQ-UHFFFAOYSA-N
XLogP3.13
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55645989
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzamide
CID 18126425
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78867431
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55467143
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55759344
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39444927
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55759194
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24630307
N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 111445679

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 55759258) is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ZFYBXZOKQBWQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c20-14-8-12(9-17-18(14)26-7-6-25-17)3-5-22-19(24)15-10-16(27-23-15)13-2-1-4-21-11-13/h1-2,4,8-11H,3,5-7H2,(H,22,24).
What are the key properties of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 385.81 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55759258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).