5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid

C7H9N3O3 — CID 112631766

IUPAC5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESNC(c1nc(C(=O)O)no1)C1CC1
InChIInChI=1S/C7H9N3O3/c8-4(3-1-2-3)6-9-5(7(11)12)10-13-6/h3-4H,1-2,8H2,(H,11,12)
InChIKeyQFOFOIBRKMALAI-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.18
Rot. Bonds3

About 5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid

5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112631766) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112631766
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESNC(c1nc(C(=O)O)no1)C1CC1
InChIInChI=1S/C7H9N3O3/c8-4(3-1-2-3)6-9-5(7(11)12)10-13-6/h3-4H,1-2,8H2,(H,11,12)
InChIKeyQFOFOIBRKMALAI-UHFFFAOYSA-N
XLogP0.18
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazol-3-amine
CID 65416408
5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631895
cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 62696512
5-(1-amino-2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 18318428
5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104685963
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 65389317
cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 106814551
(3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 54901778
5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632024
5-hexan-2-yl-1,2,4-oxadiazole-3-carboxylic acid
CID 165484826
cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 62696516
cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116701306

Frequently Asked Questions

What is the IUPAC name of 5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid (CID 112631766) is 5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid is NC(c1nc(C(=O)O)no1)C1CC1.
What is the InChIKey of 5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is QFOFOIBRKMALAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-4(3-1-2-3)6-9-5(7(11)12)10-13-6/h3-4H,1-2,8H2,(H,11,12).
What are the key properties of 5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 183.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112631766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).