5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole

C16H20N2O3 — CID 100677731

IUPAC5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCOc1ccc2c(c1)OC[C@H](c1nc(CC(C)C)no1)C2
InChIInChI=1S/C16H20N2O3/c1-10(2)6-15-17-16(21-18-15)12-7-11-4-5-13(19-3)8-14(11)20-9-12/h4-5,8,10,12H,6-7,9H2,1-3H3/t12-/m1/s1
InChIKeyIKJGXIWQKZQYDO-GFCCVEGCSA-N
MW288.35 g/mol
LogP3.00
Rot. Bonds4

About 5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole

5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 100677731) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID100677731
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCOc1ccc2c(c1)OC[C@H](c1nc(CC(C)C)no1)C2
InChIInChI=1S/C16H20N2O3/c1-10(2)6-15-17-16(21-18-15)12-7-11-4-5-13(19-3)8-14(11)20-9-12/h4-5,8,10,12H,6-7,9H2,1-3H3/t12-/m1/s1
InChIKeyIKJGXIWQKZQYDO-GFCCVEGCSA-N
XLogP3.00
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[5-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 99793587
4-[5-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 102562715
[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97273167
2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63589294
(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
CID 74889940
5-[(3S)-6-ethoxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazole
CID 100614153
1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 106894106
6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridin-2-amine
CID 72938963
2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
CID 5319689
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 164646005
5-[1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 131925191
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97269713

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole (CID 100677731) is 5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole is COc1ccc2c(c1)OC[C@H](c1nc(CC(C)C)no1)C2.
What is the InChIKey of 5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is IKJGXIWQKZQYDO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)6-15-17-16(21-18-15)12-7-11-4-5-13(19-3)8-14(11)20-9-12/h4-5,8,10,12H,6-7,9H2,1-3H3/t12-/m1/s1.
What are the key properties of 5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 100677731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).