N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C12H11N5O3 — CID 17452328

IUPACN-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1=COCCO1
InChIInChI=1S/C12H11N5O3/c18-12(11-7-19-5-6-20-11)14-9-1-3-10(4-2-9)17-8-13-15-16-17/h1-4,7-8H,5-6H2,(H,14,18)
InChIKeyXEGKOVSZXGFIIS-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.49
Rot. Bonds3

About N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 17452328) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID17452328
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC NameN-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1=COCCO1
InChIInChI=1S/C12H11N5O3/c18-12(11-7-19-5-6-20-11)14-9-1-3-10(4-2-9)17-8-13-15-16-17/h1-4,7-8H,5-6H2,(H,14,18)
InChIKeyXEGKOVSZXGFIIS-UHFFFAOYSA-N
XLogP0.49
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789417
(2R)-N-[4-(tetrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 40986910
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17011174
2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729277
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 116677263
N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733239
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233

Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 17452328) is N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)C1=COCCO1.
What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is XEGKOVSZXGFIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c18-12(11-7-19-5-6-20-11)14-9-1-3-10(4-2-9)17-8-13-15-16-17/h1-4,7-8H,5-6H2,(H,14,18).
What are the key properties of N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 17452328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).