1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine

C15H29N3O2 — CID 116733645

IUPAC1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1nc(C(C)(C)OCC)no1)CC(C)C
InChIInChI=1S/C15H29N3O2/c1-7-16-12(9-11(3)4)10-13-17-14(18-20-13)15(5,6)19-8-2/h11-12,16H,7-10H2,1-6H3
InChIKeyFWVPGHDZPCUZFN-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.91
Rot. Bonds9

About 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine

1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine (PubChem CID 116733645) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine
PubChem CID116733645
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1nc(C(C)(C)OCC)no1)CC(C)C
InChIInChI=1S/C15H29N3O2/c1-7-16-12(9-11(3)4)10-13-17-14(18-20-13)15(5,6)19-8-2/h11-12,16H,7-10H2,1-6H3
InChIKeyFWVPGHDZPCUZFN-UHFFFAOYSA-N
XLogP2.91
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclopentanecarboxamide
CID 72019459
N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 126803296
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
4-methyl-N-propyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82008311
4,4-Dimethyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103145962

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine (CID 116733645) is 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine is CCNC(Cc1nc(C(C)(C)OCC)no1)CC(C)C.
What is the InChIKey of 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine?
The InChIKey is FWVPGHDZPCUZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-7-16-12(9-11(3)4)10-13-17-14(18-20-13)15(5,6)19-8-2/h11-12,16H,7-10H2,1-6H3.
What are the key properties of 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine?
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 116733645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).