4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid

C14H25N3O3 — CID 65288860

IUPAC4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid
SMILESCCCc1nc(CNCCC(C)(C)CCC(=O)O)no1
InChIInChI=1S/C14H25N3O3/c1-4-5-12-16-11(17-20-12)10-15-9-8-14(2,3)7-6-13(18)19/h15H,4-10H2,1-3H3,(H,18,19)
InChIKeyKWKOQZSWPJREPF-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.39
Rot. Bonds10

About 4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid

4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid (PubChem CID 65288860) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid
PubChem CID65288860
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid
SMILESCCCc1nc(CNCCC(C)(C)CCC(=O)O)no1
InChIInChI=1S/C14H25N3O3/c1-4-5-12-16-11(17-20-12)10-15-9-8-14(2,3)7-6-13(18)19/h15H,4-10H2,1-3H3,(H,18,19)
InChIKeyKWKOQZSWPJREPF-UHFFFAOYSA-N
XLogP2.39
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide
CID 50754791
N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide
CID 50755033
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide
CID 50754876
5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide
CID 56793421
(3R)-6-cyclohexyl-3-{3-[(ethylamino)methyl]-1,2,4-oxadiazol-5-yl}hexanoic acid
CID 16749010
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
CID 25219200
(3R)-6-cyclohexyl-3-[3-(propylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 60077631
2-(5-Cyclopentyl-1,2,4-oxadiazol-3-yl)ethylcarbamic acid
CID 68758104
(3R)-6-(1-tert-butylcyclohexyl)-3-[3-(propylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 69430998
(3R)-2-tert-butyl-6-cyclohexyl-3-[3-(propylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 69430999
(3R)-6-(1-tert-butylcyclohexyl)-3-[3-[(2-methylpropylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 69431015
(3R)-2-tert-butyl-6-cyclohexyl-3-[3-[(2-methylpropylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 69431019

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid (CID 65288860) is 4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid is CCCc1nc(CNCCC(C)(C)CCC(=O)O)no1.
What is the InChIKey of 4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid?
The InChIKey is KWKOQZSWPJREPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-5-12-16-11(17-20-12)10-15-9-8-14(2,3)7-6-13(18)19/h15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid?
4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid has a molecular weight of 283.37 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[(5-propyl-1,2,4-oxadiazol-3-yl)methylamino]hexanoic acid is sourced from PubChem (CID 65288860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).