[5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid

C18H28N4O3 — CID 138688731

IUPAC[5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid
SMILESNC(CCCCNC(=O)O)c1nc(C23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C18H28N4O3/c19-14(3-1-2-4-20-17(23)24)15-21-16(22-25-15)18-8-11-5-12(9-18)7-13(6-11)10-18/h11-14,20H,1-10,19H2,(H,23,24)
InChIKeyRYFCFARKHZULJV-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.98
Rot. Bonds7

About [5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid

[5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid (PubChem CID 138688731) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is [5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid.

Molecular Properties

Compound Name[5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid
PubChem CID138688731
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name[5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid
SMILESNC(CCCCNC(=O)O)c1nc(C23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C18H28N4O3/c19-14(3-1-2-4-20-17(23)24)15-21-16(22-25-15)18-8-11-5-12(9-18)7-13(6-11)10-18/h11-14,20H,1-10,19H2,(H,23,24)
InChIKeyRYFCFARKHZULJV-UHFFFAOYSA-N
XLogP2.98
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid?
The IUPAC name of [5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid (CID 138688731) is [5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid.
What is the SMILES notation for [5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid?
The canonical SMILES for [5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid is NC(CCCCNC(=O)O)c1nc(C23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of [5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid?
The InChIKey is RYFCFARKHZULJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c19-14(3-1-2-4-20-17(23)24)15-21-16(22-25-15)18-8-11-5-12(9-18)7-13(6-11)10-18/h11-14,20H,1-10,19H2,(H,23,24).
What are the key properties of [5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid?
[5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid has a molecular weight of 348.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid is sourced from PubChem (CID 138688731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).