2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid

C10H13N7O3 — CID 68754005

IUPAC2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2cc(N3CCNCC3)no2)n1
InChIInChI=1S/C10H13N7O3/c18-9(19)6-17-13-10(12-15-17)7-5-8(14-20-7)16-3-1-11-2-4-16/h5,11H,1-4,6H2,(H,18,19)
InChIKeyWALBZUNEEMZMBH-UHFFFAOYSA-N
MW279.26 g/mol
LogP-1.18
Rot. Bonds4

About 2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid

2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid (PubChem CID 68754005) has the molecular formula C10H13N7O3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid
PubChem CID68754005
Molecular FormulaC10H13N7O3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2cc(N3CCNCC3)no2)n1
InChIInChI=1S/C10H13N7O3/c18-9(19)6-17-13-10(12-15-17)7-5-8(14-20-7)16-3-1-11-2-4-16/h5,11H,1-4,6H2,(H,18,19)
InChIKeyWALBZUNEEMZMBH-UHFFFAOYSA-N
XLogP-1.18
TPSA122.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid (CID 68754005) is 2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid is O=C(O)Cn1nnc(-c2cc(N3CCNCC3)no2)n1.
What is the InChIKey of 2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid?
The InChIKey is WALBZUNEEMZMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O3/c18-9(19)6-17-13-10(12-15-17)7-5-8(14-20-7)16-3-1-11-2-4-16/h5,11H,1-4,6H2,(H,18,19).
What are the key properties of 2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid?
2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid has a molecular weight of 279.26 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid is sourced from PubChem (CID 68754005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).