[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol

C14H13N3O3 — CID 64579745

IUPAC[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2cccc(-c3nnco3)c2)o1
InChIInChI=1S/C14H13N3O3/c18-8-13-5-4-12(20-13)7-15-11-3-1-2-10(6-11)14-17-16-9-19-14/h1-6,9,15,18H,7-8H2
InChIKeyDXLHJWHTWDJPNO-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.43
Rot. Bonds5

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

[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol (PubChem CID 64579745) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is [5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
PubChem CID64579745
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2cccc(-c3nnco3)c2)o1
InChIInChI=1S/C14H13N3O3/c18-8-13-5-4-12(20-13)7-15-11-3-1-2-10(6-11)14-17-16-9-19-14/h1-6,9,15,18H,7-8H2
InChIKeyDXLHJWHTWDJPNO-UHFFFAOYSA-N
XLogP2.43
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662478
4-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713696
N-[(4-bromothiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28972991
3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 28713579
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022
N-[(4-chlorothiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 79419872
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
CID 81413545
N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
CID 107444720
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62346309
N-methyl-2-[2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenoxy]acetamide
CID 75385057
N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62756480

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol (CID 64579745) is [5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol is OCc1ccc(CNc2cccc(-c3nnco3)c2)o1.
What is the InChIKey of [5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol?
The InChIKey is DXLHJWHTWDJPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-8-13-5-4-12(20-13)7-15-11-3-1-2-10(6-11)14-17-16-9-19-14/h1-6,9,15,18H,7-8H2.
What are the key properties of [5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol?
[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol has a molecular weight of 271.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64579745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).