5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide

C17H13N3O4 — CID 17011861

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(-c2ccc3c(c2)OCCO3)on1
InChIInChI=1S/C17H13N3O4/c21-17(19-16-3-1-2-6-18-16)12-10-14(24-20-12)11-4-5-13-15(9-11)23-8-7-22-13/h1-6,9-10H,7-8H2,(H,18,19,21)
InChIKeyOPSFKWZMQLOQMN-UHFFFAOYSA-N
MW323.31 g/mol
LogP2.76
Rot. Bonds3

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 17011861) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
PubChem CID17011861
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(-c2ccc3c(c2)OCCO3)on1
InChIInChI=1S/C17H13N3O4/c21-17(19-16-3-1-2-6-18-16)12-10-14(24-20-12)11-4-5-13-15(9-11)23-8-7-22-13/h1-6,9-10H,7-8H2,(H,18,19,21)
InChIKeyOPSFKWZMQLOQMN-UHFFFAOYSA-N
XLogP2.76
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 1247385
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 99598969
5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
CID 15988831
N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103315
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridine-2-carbonylamino)phenyl]oxamide
CID 3220639
5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 167799653
N-(4-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 19581183
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 43843832
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 139676224
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35673207

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide (CID 17011861) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1ccccn1)c1cc(-c2ccc3c(c2)OCCO3)on1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is OPSFKWZMQLOQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-17(19-16-3-1-2-6-18-16)12-10-14(24-20-12)11-4-5-13-15(9-11)23-8-7-22-13/h1-6,9-10H,7-8H2,(H,18,19,21).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17011861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).