N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide

C20H19N3O5 — CID 45497752

IUPACN-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1
InChIInChI=1S/C20H19N3O5/c1-2-25-20-15(4-3-7-21-20)19(24)22-12-14-11-17(28-23-14)13-5-6-16-18(10-13)27-9-8-26-16/h3-7,10-11H,2,8-9,12H2,1H3,(H,22,24)
InChIKeyZFUGHOWORDPFMQ-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.84
Rot. Bonds6

About N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide

N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 45497752) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide
PubChem CID45497752
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1
InChIInChI=1S/C20H19N3O5/c1-2-25-20-15(4-3-7-21-20)19(24)22-12-14-11-17(28-23-14)13-5-6-16-18(10-13)27-9-8-26-16/h3-7,10-11H,2,8-9,12H2,1H3,(H,22,24)
InChIKeyZFUGHOWORDPFMQ-UHFFFAOYSA-N
XLogP2.84
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide (CID 45497752) is N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1.
What is the InChIKey of N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is ZFUGHOWORDPFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-2-25-20-15(4-3-7-21-20)19(24)22-12-14-11-17(28-23-14)13-5-6-16-18(10-13)27-9-8-26-16/h3-7,10-11H,2,8-9,12H2,1H3,(H,22,24).
What are the key properties of N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide?
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 45497752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).