5-(tetrazol-1-ylmethyl)-1,3-oxazole

C5H5N5O — CID 19771040

IUPAC5-(tetrazol-1-ylmethyl)-1,3-oxazole
SMILESc1ncc(Cn2cnnn2)o1
InChIInChI=1S/C5H5N5O/c1-5(11-4-6-1)2-10-3-7-8-9-10/h1,3-4H,2H2
InChIKeyCVQMLSXXNALVEC-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.29
Rot. Bonds2

About 5-(tetrazol-1-ylmethyl)-1,3-oxazole

5-(tetrazol-1-ylmethyl)-1,3-oxazole (PubChem CID 19771040) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 5-(tetrazol-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(tetrazol-1-ylmethyl)-1,3-oxazole
PubChem CID19771040
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name5-(tetrazol-1-ylmethyl)-1,3-oxazole
SMILESc1ncc(Cn2cnnn2)o1
InChIInChI=1S/C5H5N5O/c1-5(11-4-6-1)2-10-3-7-8-9-10/h1,3-4H,2H2
InChIKeyCVQMLSXXNALVEC-UHFFFAOYSA-N
XLogP-0.29
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(tetrazol-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-(tetrazol-1-ylmethyl)-1,3-oxazole (CID 19771040) is 5-(tetrazol-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(tetrazol-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(tetrazol-1-ylmethyl)-1,3-oxazole is c1ncc(Cn2cnnn2)o1.
What is the InChIKey of 5-(tetrazol-1-ylmethyl)-1,3-oxazole?
The InChIKey is CVQMLSXXNALVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c1-5(11-4-6-1)2-10-3-7-8-9-10/h1,3-4H,2H2.
What are the key properties of 5-(tetrazol-1-ylmethyl)-1,3-oxazole?
5-(tetrazol-1-ylmethyl)-1,3-oxazole has a molecular weight of 151.13 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tetrazol-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 19771040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).