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

C15H18N2O3 — CID 97011260

IUPAC5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCOC(C)(C)c1noc([C@@H]2CCOc3ccccc32)n1
InChIInChI=1S/C15H18N2O3/c1-15(2,18-3)14-16-13(20-17-14)11-8-9-19-12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyLGKVJUNCUVSLKC-LLVKDONJSA-N
MW274.32 g/mol
LogP2.87
Rot. Bonds3

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

5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole (PubChem CID 97011260) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
PubChem CID97011260
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCOC(C)(C)c1noc([C@@H]2CCOc3ccccc32)n1
InChIInChI=1S/C15H18N2O3/c1-15(2,18-3)14-16-13(20-17-14)11-8-9-19-12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyLGKVJUNCUVSLKC-LLVKDONJSA-N
XLogP2.87
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 112571434
3-(1-chloroethyl)-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 102660966
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 63710487
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096385
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
methyl 2-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474215
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 65414507
3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole
CID 100675712
3-(3,4-dihydro-2H-chromen-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914990
2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62719692
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65405097
2-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 65414307

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole (CID 97011260) is 5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole is COC(C)(C)c1noc([C@@H]2CCOc3ccccc32)n1.
What is the InChIKey of 5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is LGKVJUNCUVSLKC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,18-3)14-16-13(20-17-14)11-8-9-19-12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 274.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 97011260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).