2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole

C15H14N2O3 — CID 129489318

IUPAC2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole
SMILESC1=C(c2nnc([C@H]3CCOC3)o2)COc2ccccc21
InChIInChI=1S/C15H14N2O3/c1-2-4-13-10(3-1)7-12(9-19-13)15-17-16-14(20-15)11-5-6-18-8-11/h1-4,7,11H,5-6,8-9H2/t11-/m0/s1
InChIKeyLFGYNFDGJNSSEJ-NSHDSACASA-N
MW270.29 g/mol
LogP2.51
Rot. Bonds2

About 2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole

2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole (PubChem CID 129489318) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole
PubChem CID129489318
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole
SMILESC1=C(c2nnc([C@H]3CCOC3)o2)COc2ccccc21
InChIInChI=1S/C15H14N2O3/c1-2-4-13-10(3-1)7-12(9-19-13)15-17-16-14(20-15)11-5-6-18-8-11/h1-4,7,11H,5-6,8-9H2/t11-/m0/s1
InChIKeyLFGYNFDGJNSSEJ-NSHDSACASA-N
XLogP2.51
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole
CID 129489389
2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole
CID 29139838
3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene
CID 101244851
2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 114771335
3-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 63382181
2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 126990027
2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole
CID 138012179
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97330359
(3R)-3-phenyloxolane
CID 92859476
2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole
CID 129489687
2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole
CID 167756386
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259

Frequently Asked Questions

What is the IUPAC name of 2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole (CID 129489318) is 2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole is C1=C(c2nnc([C@H]3CCOC3)o2)COc2ccccc21.
What is the InChIKey of 2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole?
The InChIKey is LFGYNFDGJNSSEJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-4-13-10(3-1)7-12(9-19-13)15-17-16-14(20-15)11-5-6-18-8-11/h1-4,7,11H,5-6,8-9H2/t11-/m0/s1.
What are the key properties of 2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole?
2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 129489318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).