[1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid

C7H12N4O3 — CID 134249368

IUPAC[1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid
SMILESCC(C)C(NC(=O)O)c1nnc(N)o1
InChIInChI=1S/C7H12N4O3/c1-3(2)4(9-7(12)13)5-10-11-6(8)14-5/h3-4,9H,1-2H3,(H2,8,11)(H,12,13)
InChIKeyRVYYJRIEXGYZRD-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.62
Rot. Bonds3

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

[1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid (PubChem CID 134249368) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is [1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid.

Molecular Properties

Compound Name[1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid
PubChem CID134249368
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name[1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid
SMILESCC(C)C(NC(=O)O)c1nnc(N)o1
InChIInChI=1S/C7H12N4O3/c1-3(2)4(9-7(12)13)5-10-11-6(8)14-5/h3-4,9H,1-2H3,(H2,8,11)(H,12,13)
InChIKeyRVYYJRIEXGYZRD-UHFFFAOYSA-N
XLogP0.62
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid?
The IUPAC name of [1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid (CID 134249368) is [1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid.
What is the SMILES notation for [1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid?
The canonical SMILES for [1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid is CC(C)C(NC(=O)O)c1nnc(N)o1.
What is the InChIKey of [1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid?
The InChIKey is RVYYJRIEXGYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-3(2)4(9-7(12)13)5-10-11-6(8)14-5/h3-4,9H,1-2H3,(H2,8,11)(H,12,13).
What are the key properties of [1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid?
[1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid has a molecular weight of 200.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid is sourced from PubChem (CID 134249368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).