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

C15H20ClN3O2 — CID 60689039

IUPAC2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H20ClN3O2/c1-2-3-8-19(9-10-20)11-14-17-18-15(21-14)12-4-6-13(16)7-5-12/h4-7,20H,2-3,8-11H2,1H3
InChIKeyMROCCBLKDGOYFM-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.98
Rot. Bonds8

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

2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol (PubChem CID 60689039) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
PubChem CID60689039
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H20ClN3O2/c1-2-3-8-19(9-10-20)11-14-17-18-15(21-14)12-4-6-13(16)7-5-12/h4-7,20H,2-3,8-11H2,1H3
InChIKeyMROCCBLKDGOYFM-UHFFFAOYSA-N
XLogP2.98
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111022284
2-[butyl-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 111461881
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol
CID 60689002
3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol
CID 115669583
2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 62015618
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2-methoxyethyl)amino]ethanol
CID 111103173
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoate
CID 62013028
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485432
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol
CID 111423799
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]ethanol
CID 60686061
2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60689589

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol (CID 60689039) is 2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol is CCCCN(CCO)Cc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol?
The InChIKey is MROCCBLKDGOYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-2-3-8-19(9-10-20)11-14-17-18-15(21-14)12-4-6-13(16)7-5-12/h4-7,20H,2-3,8-11H2,1H3.
What are the key properties of 2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol?
2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol has a molecular weight of 309.80 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 60689039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).