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

C14H18ClN3O2 — CID 111336362

IUPAC1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol
SMILESCN(Cc1nnc(-c2cccc(Cl)c2)o1)CC(C)(C)O
InChIInChI=1S/C14H18ClN3O2/c1-14(2,19)9-18(3)8-12-16-17-13(20-12)10-5-4-6-11(15)7-10/h4-7,19H,8-9H2,1-3H3
InChIKeyBFMVKIXINUBSLC-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.59
Rot. Bonds5

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

1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 111336362) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol
PubChem CID111336362
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol
SMILESCN(Cc1nnc(-c2cccc(Cl)c2)o1)CC(C)(C)O
InChIInChI=1S/C14H18ClN3O2/c1-14(2,19)9-18(3)8-12-16-17-13(20-12)10-5-4-6-11(15)7-10/h4-7,19H,8-9H2,1-3H3
InChIKeyBFMVKIXINUBSLC-UHFFFAOYSA-N
XLogP2.59
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 39347320
[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylphosphonic acid
CID 155254162
1-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]-2-methylpropan-2-ol
CID 78962464
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine
CID 84700432
2,4-dichloro-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652386
N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
CID 110652353
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 110652267
1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol
CID 78962061
2-(3-chlorophenyl)-5-(ethoxymethylsulfanyl)-1,3,4-oxadiazole
CID 100686773
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55039506
3-bromo-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652371
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,3,4-trifluoroaniline
CID 110652399

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol (CID 111336362) is 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol is CN(Cc1nnc(-c2cccc(Cl)c2)o1)CC(C)(C)O.
What is the InChIKey of 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is BFMVKIXINUBSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-14(2,19)9-18(3)8-12-16-17-13(20-12)10-5-4-6-11(15)7-10/h4-7,19H,8-9H2,1-3H3.
What are the key properties of 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol?
1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 295.77 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 111336362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).