1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol

C12H14ClN3O2 — CID 106398104

IUPAC1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
SMILESCc1nc(CNCC(O)c2ccccc2Cl)no1
InChIInChI=1S/C12H14ClN3O2/c1-8-15-12(16-18-8)7-14-6-11(17)9-4-2-3-5-10(9)13/h2-5,11,14,17H,6-7H2,1H3
InChIKeyQMRPGWCSKKPKHP-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.85
Rot. Bonds5

About 1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol

1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol (PubChem CID 106398104) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
PubChem CID106398104
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
SMILESCc1nc(CNCC(O)c2ccccc2Cl)no1
InChIInChI=1S/C12H14ClN3O2/c1-8-15-12(16-18-8)7-14-6-11(17)9-4-2-3-5-10(9)13/h2-5,11,14,17H,6-7H2,1H3
InChIKeyQMRPGWCSKKPKHP-UHFFFAOYSA-N
XLogP1.85
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103916398
1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398102
1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398326
1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
CID 106398798
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylpropan-1-amine
CID 113224953
(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 106398321
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 106398455
1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398329
1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol
CID 79749123
1-[(4-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398482
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 107911793

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol (CID 106398104) is 1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol is Cc1nc(CNCC(O)c2ccccc2Cl)no1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol?
The InChIKey is QMRPGWCSKKPKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-8-15-12(16-18-8)7-14-6-11(17)9-4-2-3-5-10(9)13/h2-5,11,14,17H,6-7H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol?
1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol has a molecular weight of 267.72 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 106398104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).