1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine

C14H27N3O2 — CID 116733319

IUPAC1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1nc(C(OC)C(C)C)no1)CC(C)C
InChIInChI=1S/C14H27N3O2/c1-9(2)7-11(15-5)8-12-16-14(17-19-12)13(18-6)10(3)4/h9-11,13,15H,7-8H2,1-6H3
InChIKeyNJQDZBJTCPXIPY-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.59
Rot. Bonds8

About 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine

1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (PubChem CID 116733319) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
PubChem CID116733319
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1nc(C(OC)C(C)C)no1)CC(C)C
InChIInChI=1S/C14H27N3O2/c1-9(2)7-11(15-5)8-12-16-14(17-19-12)13(18-6)10(3)4/h9-11,13,15H,7-8H2,1-6H3
InChIKeyNJQDZBJTCPXIPY-UHFFFAOYSA-N
XLogP2.59
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-3-hydroxy-N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}cyclohexanecarboxamide
CID 91781893
N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclopentanecarboxamide
CID 72019459
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine
CID 75504705
trans-3-hydroxy-N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}cyclohexanecarboxamide
CID 91786686
N,4-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80441823
N-ethyl-4-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80441842
4-methyl-N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80441862
N,4-dimethyl-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80442399
N-ethyl-4-methyl-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80442428
4-methyl-N-propyl-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80442429
N-ethyl-4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82007983
N,4-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82008310

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (CID 116733319) is 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is CNC(Cc1nc(C(OC)C(C)C)no1)CC(C)C.
What is the InChIKey of 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The InChIKey is NJQDZBJTCPXIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-9(2)7-11(15-5)8-12-16-14(17-19-12)13(18-6)10(3)4/h9-11,13,15H,7-8H2,1-6H3.
What are the key properties of 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 116733319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).