1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone

C13H15N5O3 — CID 652396

IUPAC1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone
SMILESO=C(COc1cccc(-n2cnnn2)c1)N1CCOCC1
InChIInChI=1S/C13H15N5O3/c19-13(17-4-6-20-7-5-17)9-21-12-3-1-2-11(8-12)18-10-14-15-16-18/h1-3,8,10H,4-7,9H2
InChIKeySRBCXLMWVXKSCC-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.10
Rot. Bonds4

About 1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone

1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone (PubChem CID 652396) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone
PubChem CID652396
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone
SMILESO=C(COc1cccc(-n2cnnn2)c1)N1CCOCC1
InChIInChI=1S/C13H15N5O3/c19-13(17-4-6-20-7-5-17)9-21-12-3-1-2-11(8-12)18-10-14-15-16-18/h1-3,8,10H,4-7,9H2
InChIKeySRBCXLMWVXKSCC-UHFFFAOYSA-N
XLogP-0.10
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864036
N-(3-methoxyphenyl)-2-[3-(1H-tetraazol-1-yl)phenoxy]acetamide
CID 1140121
1-(3-Methoxy-phenyl)-1H-tetrazole
CID 856021
N-(4-Nitro-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 3165713
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 4882934
N-(2-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 647163
N-(2-Ethoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 654404
N-(4-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864037
N-(4-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 1140123
2-[4-(Tetrazol-1-yl)phenoxy]acetamide
CID 817506
Methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate
CID 653890
N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2565169

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone (CID 652396) is 1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone is O=C(COc1cccc(-n2cnnn2)c1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The InChIKey is SRBCXLMWVXKSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-13(17-4-6-20-7-5-17)9-21-12-3-1-2-11(8-12)18-10-14-15-16-18/h1-3,8,10H,4-7,9H2.
What are the key properties of 1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone has a molecular weight of 289.29 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[3-(tetrazol-1-yl)phenoxy]ethanone is sourced from PubChem (CID 652396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).