(4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone

C12H14N6O2 — CID 138054689

IUPAC(4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone
SMILESCC1(C)COCN1C(=O)c1ccc(-c2nn[nH]n2)cn1
InChIInChI=1S/C12H14N6O2/c1-12(2)6-20-7-18(12)11(19)9-4-3-8(5-13-9)10-14-16-17-15-10/h3-5H,6-7H2,1-2H3,(H,14,15,16,17)
InChIKeyICPGMPNDGXIACW-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.47
Rot. Bonds2

About (4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone

(4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone (PubChem CID 138054689) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is (4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone
PubChem CID138054689
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone
SMILESCC1(C)COCN1C(=O)c1ccc(-c2nn[nH]n2)cn1
InChIInChI=1S/C12H14N6O2/c1-12(2)6-20-7-18(12)11(19)9-4-3-8(5-13-9)10-14-16-17-15-10/h3-5H,6-7H2,1-2H3,(H,14,15,16,17)
InChIKeyICPGMPNDGXIACW-UHFFFAOYSA-N
XLogP0.47
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone?
The IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone (CID 138054689) is (4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone?
The canonical SMILES for (4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone is CC1(C)COCN1C(=O)c1ccc(-c2nn[nH]n2)cn1.
What is the InChIKey of (4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone?
The InChIKey is ICPGMPNDGXIACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-12(2)6-20-7-18(12)11(19)9-4-3-8(5-13-9)10-14-16-17-15-10/h3-5H,6-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of (4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone?
(4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone has a molecular weight of 274.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 138054689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).