3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide

C12H11N3O3 — CID 171359786

IUPAC3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc([C@@H]2CCOc3ccccc32)no1
InChIInChI=1S/C12H11N3O3/c13-10(16)12-14-11(15-18-12)8-5-6-17-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H2,13,16)/t8-/m1/s1
InChIKeyXCWMMFNSXWKGID-MRVPVSSYSA-N
MW245.24 g/mol
LogP1.08
Rot. Bonds2

About 3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide

3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 171359786) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID171359786
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc([C@@H]2CCOc3ccccc32)no1
InChIInChI=1S/C12H11N3O3/c13-10(16)12-14-11(15-18-12)8-5-6-17-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H2,13,16)/t8-/m1/s1
InChIKeyXCWMMFNSXWKGID-MRVPVSSYSA-N
XLogP1.08
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide (CID 171359786) is 3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide is NC(=O)c1nc([C@@H]2CCOc3ccccc32)no1.
What is the InChIKey of 3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XCWMMFNSXWKGID-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-10(16)12-14-11(15-18-12)8-5-6-17-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H2,13,16)/t8-/m1/s1.
What are the key properties of 3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide?
3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 171359786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).