3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol

C14H19N3O2 — CID 115666486

IUPAC3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
SMILESCCN(CCCO)Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-2-17(9-6-10-18)11-13-15-14(19-16-13)12-7-4-3-5-8-12/h3-5,7-8,18H,2,6,9-11H2,1H3
InChIKeyIBWSZJPONLLGOC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds7

About 3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol

3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol (PubChem CID 115666486) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
PubChem CID115666486
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
SMILESCCN(CCCO)Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-2-17(9-6-10-18)11-13-15-14(19-16-13)12-7-4-3-5-8-12/h3-5,7-8,18H,2,6,9-11H2,1H3
InChIKeyIBWSZJPONLLGOC-UHFFFAOYSA-N
XLogP1.94
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol
CID 62020853
2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 110932771
2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 62020296
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
CID 115666478
2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819926
3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]propanoic acid
CID 61011299
2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 79263003
2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 115613587
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine
CID 66215112
2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60775128
2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60839651

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol (CID 115666486) is 3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol is CCN(CCCO)Cc1noc(-c2ccccc2)n1.
What is the InChIKey of 3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol?
The InChIKey is IBWSZJPONLLGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-17(9-6-10-18)11-13-15-14(19-16-13)12-7-4-3-5-8-12/h3-5,7-8,18H,2,6,9-11H2,1H3.
What are the key properties of 3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol?
3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol has a molecular weight of 261.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115666486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).