3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol

C15H21N3O2 — CID 111860036

IUPAC3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol
SMILESCCCc1noc(CN(CCCO)c2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-2-7-14-16-15(20-17-14)12-18(10-6-11-19)13-8-4-3-5-9-13/h3-5,8-9,19H,2,6-7,10-12H2,1H3
InChIKeyFGJIMAKEXWYYLN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.41
Rot. Bonds8

About 3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol

3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol (PubChem CID 111860036) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol.

Molecular Properties

Compound Name3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol
PubChem CID111860036
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol
SMILESCCCc1noc(CN(CCCO)c2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-2-7-14-16-15(20-17-14)12-18(10-6-11-19)13-8-4-3-5-9-13/h3-5,8-9,19H,2,6-7,10-12H2,1H3
InChIKeyFGJIMAKEXWYYLN-UHFFFAOYSA-N
XLogP2.41
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine
CID 71866216
3-(N-propylanilino)propan-1-ol
CID 101291000
2-[N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]anilino]ethanol
CID 120750422
2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol
CID 110881468
(2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol
CID 94817190
3-[2,2-dimethoxyethyl-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propan-1-ol
CID 75453471
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112469
2-[cyclopropyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60774430
3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115666486
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51075985
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191511
2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
CID 115640885

Frequently Asked Questions

What is the IUPAC name of 3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol?
The IUPAC name of 3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol (CID 111860036) is 3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol.
What is the SMILES notation for 3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol?
The canonical SMILES for 3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol is CCCc1noc(CN(CCCO)c2ccccc2)n1.
What is the InChIKey of 3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol?
The InChIKey is FGJIMAKEXWYYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-7-14-16-15(20-17-14)12-18(10-6-11-19)13-8-4-3-5-9-13/h3-5,8-9,19H,2,6-7,10-12H2,1H3.
What are the key properties of 3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol?
3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol is sourced from PubChem (CID 111860036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).