2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol

C14H17N3O2 — CID 111544022

IUPAC2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol
SMILESOCCN(Cc1nnc(C2CC2)o1)c1ccccc1
InChIInChI=1S/C14H17N3O2/c18-9-8-17(12-4-2-1-3-5-12)10-13-15-16-14(19-13)11-6-7-11/h1-5,11,18H,6-10H2
InChIKeyHTPBBRRKTFISQY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.95
Rot. Bonds6

About 2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol

2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol (PubChem CID 111544022) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol
PubChem CID111544022
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol
SMILESOCCN(Cc1nnc(C2CC2)o1)c1ccccc1
InChIInChI=1S/C14H17N3O2/c18-9-8-17(12-4-2-1-3-5-12)10-13-15-16-14(19-13)11-6-7-11/h1-5,11,18H,6-10H2
InChIKeyHTPBBRRKTFISQY-UHFFFAOYSA-N
XLogP1.95
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 111487823
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine
CID 51107181
4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol
CID 111458836
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol
CID 111107308
(1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 95582684
2-[N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]anilino]ethanol
CID 120750422
2-[N-(pyrimidin-5-ylmethyl)anilino]ethanol
CID 99835017
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol
CID 111488398
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 82471262
2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol
CID 110881468
2-cyclopropyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520325

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol?
The IUPAC name of 2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol (CID 111544022) is 2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol?
The canonical SMILES for 2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol is OCCN(Cc1nnc(C2CC2)o1)c1ccccc1.
What is the InChIKey of 2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol?
The InChIKey is HTPBBRRKTFISQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-9-8-17(12-4-2-1-3-5-12)10-13-15-16-14(19-13)11-6-7-11/h1-5,11,18H,6-10H2.
What are the key properties of 2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol?
2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol has a molecular weight of 259.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol is sourced from PubChem (CID 111544022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).