1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol

C14H19N3O3 — CID 107408294

IUPAC1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(Cc2nnc(-c3ccco3)o2)CC1
InChIInChI=1S/C14H19N3O3/c1-14(18)5-3-7-17(8-6-14)10-12-15-16-13(20-12)11-4-2-9-19-11/h2,4,9,18H,3,5-8,10H2,1H3
InChIKeyRZXLQPXPJVATRD-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.07
Rot. Bonds3

About 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol

1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol (PubChem CID 107408294) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol
PubChem CID107408294
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(Cc2nnc(-c3ccco3)o2)CC1
InChIInChI=1S/C14H19N3O3/c1-14(18)5-3-7-17(8-6-14)10-12-15-16-13(20-12)11-4-2-9-19-11/h2,4,9,18H,3,5-8,10H2,1H3
InChIKeyRZXLQPXPJVATRD-UHFFFAOYSA-N
XLogP2.07
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol with MolForge

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Related Compounds

2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 107324790
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80706784
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol
CID 80701819
furan-2-yl-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 26495653
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanol
CID 79833803
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80703636
[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 37084291
2-(furan-2-yl)-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole
CID 27125233
2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 56817361

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol (CID 107408294) is 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol is CC1(O)CCCN(Cc2nnc(-c3ccco3)o2)CC1.
What is the InChIKey of 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol?
The InChIKey is RZXLQPXPJVATRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(18)5-3-7-17(8-6-14)10-12-15-16-13(20-12)11-4-2-9-19-11/h2,4,9,18H,3,5-8,10H2,1H3.
What are the key properties of 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol?
1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol has a molecular weight of 277.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107408294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).