2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol

C17H25N3O2 — CID 111489942

IUPAC2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol
SMILESCCCc1nc(CN(CC)CC(O)c2ccc(C)cc2)no1
InChIInChI=1S/C17H25N3O2/c1-4-6-17-18-16(19-22-17)12-20(5-2)11-15(21)14-9-7-13(3)8-10-14/h7-10,15,21H,4-6,11-12H2,1-3H3
InChIKeyDHVRNSUAHZKZJZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.89
Rot. Bonds8

About 2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol

2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol (PubChem CID 111489942) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol
PubChem CID111489942
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol
SMILESCCCc1nc(CN(CC)CC(O)c2ccc(C)cc2)no1
InChIInChI=1S/C17H25N3O2/c1-4-6-17-18-16(19-22-17)12-20(5-2)11-15(21)14-9-7-13(3)8-10-14/h7-10,15,21H,4-6,11-12H2,1-3H3
InChIKeyDHVRNSUAHZKZJZ-UHFFFAOYSA-N
XLogP2.89
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol
CID 111462245
1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
CID 62332798
2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol
CID 71988626
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride
CID 120901014
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol
CID 110903094
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115773273
4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 5106222
N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 50982014
methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55821846
1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol
CID 111462210
(1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol
CID 95173170
(2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide
CID 95064165

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol (CID 111489942) is 2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol is CCCc1nc(CN(CC)CC(O)c2ccc(C)cc2)no1.
What is the InChIKey of 2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol?
The InChIKey is DHVRNSUAHZKZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-6-17-18-16(19-22-17)12-20(5-2)11-15(21)14-9-7-13(3)8-10-14/h7-10,15,21H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol?
2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol has a molecular weight of 303.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 111489942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).