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

C15H18ClN3O2 — CID 111858727

IUPAC2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol
SMILESCN(Cc1nnc(-c2ccccc2Cl)o1)CC(O)C1CC1
InChIInChI=1S/C15H18ClN3O2/c1-19(8-13(20)10-6-7-10)9-14-17-18-15(21-14)11-4-2-3-5-12(11)16/h2-5,10,13,20H,6-9H2,1H3
InChIKeyDGEIFFPOTGRCEY-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.59
Rot. Bonds6

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

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol (PubChem CID 111858727) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol
PubChem CID111858727
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol
SMILESCN(Cc1nnc(-c2ccccc2Cl)o1)CC(O)C1CC1
InChIInChI=1S/C15H18ClN3O2/c1-19(8-13(20)10-6-7-10)9-14-17-18-15(21-14)11-4-2-3-5-12(11)16/h2-5,10,13,20H,6-9H2,1H3
InChIKeyDGEIFFPOTGRCEY-UHFFFAOYSA-N
XLogP2.59
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol with MolForge

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Related Compounds

1-cyclopropyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 111858859
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 63643027
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858860
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 62821774
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-propan-2-yloxybenzamide
CID 16557574
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86855991
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,2-diphenyl-N-propylacetamide
CID 55361278
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbenzamide
CID 4806431
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-ol
CID 112695503
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide
CID 39731359
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide
CID 16557614

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol (CID 111858727) is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol is CN(Cc1nnc(-c2ccccc2Cl)o1)CC(O)C1CC1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol?
The InChIKey is DGEIFFPOTGRCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-19(8-13(20)10-6-7-10)9-14-17-18-15(21-14)11-4-2-3-5-12(11)16/h2-5,10,13,20H,6-9H2,1H3.
What are the key properties of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol?
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol has a molecular weight of 307.78 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 111858727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).