1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

C14H16N2O3 — CID 103096385

IUPAC1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(C2CCOc3ccccc32)n1
InChIInChI=1S/C14H16N2O3/c1-2-11(17)13-15-14(19-16-13)10-7-8-18-12-6-4-3-5-9(10)12/h3-6,10-11,17H,2,7-8H2,1H3
InChIKeyJWOIVEOPMOVNPX-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.43
Rot. Bonds3

About 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096385) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096385
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(C2CCOc3ccccc32)n1
InChIInChI=1S/C14H16N2O3/c1-2-11(17)13-15-14(19-16-13)10-7-8-18-12-6-4-3-5-9(10)12/h3-6,10-11,17H,2,7-8H2,1H3
InChIKeyJWOIVEOPMOVNPX-UHFFFAOYSA-N
XLogP2.43
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol with MolForge

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Related Compounds

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
3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 112571434
5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 97011260
1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096443
2-[[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81065351
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65405099
1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096087
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole
CID 100675712
4-(chloromethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole
CID 65406536

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096385) is 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCC(O)c1noc(C2CCOc3ccccc32)n1.
What is the InChIKey of 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is JWOIVEOPMOVNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-11(17)13-15-14(19-16-13)10-7-8-18-12-6-4-3-5-9(10)12/h3-6,10-11,17H,2,7-8H2,1H3.
What are the key properties of 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 260.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).