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

C16H15N3O5 — CID 71788412

IUPAC2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1coc(NC(=O)C2CC2)n1
InChIInChI=1S/C16H15N3O5/c20-14(9-1-2-9)19-16-18-11(8-24-16)15(21)17-10-3-4-12-13(7-10)23-6-5-22-12/h3-4,7-9H,1-2,5-6H2,(H,17,21)(H,18,19,20)
InChIKeyCFOSWCFVTBIPBM-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.05
Rot. Bonds4

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

2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide (PubChem CID 71788412) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide
PubChem CID71788412
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1coc(NC(=O)C2CC2)n1
InChIInChI=1S/C16H15N3O5/c20-14(9-1-2-9)19-16-18-11(8-24-16)15(21)17-10-3-4-12-13(7-10)23-6-5-22-12/h3-4,7-9H,1-2,5-6H2,(H,17,21)(H,18,19,20)
InChIKeyCFOSWCFVTBIPBM-UHFFFAOYSA-N
XLogP2.05
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide (CID 71788412) is 2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1coc(NC(=O)C2CC2)n1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is CFOSWCFVTBIPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c20-14(9-1-2-9)19-16-18-11(8-24-16)15(21)17-10-3-4-12-13(7-10)23-6-5-22-12/h3-4,7-9H,1-2,5-6H2,(H,17,21)(H,18,19,20).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71788412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).