1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone

C15H19N5O3 — CID 70707776

IUPAC1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone
SMILESCc1nnnn1-c1ccc(CC(=O)N2CCOCC(O)C2)cc1
InChIInChI=1S/C15H19N5O3/c1-11-16-17-18-20(11)13-4-2-12(3-5-13)8-15(22)19-6-7-23-10-14(21)9-19/h2-5,14,21H,6-10H2,1H3
InChIKeyJBOJOMDBODFOFQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.27
Rot. Bonds3

About 1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone

1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone (PubChem CID 70707776) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone
PubChem CID70707776
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone
SMILESCc1nnnn1-c1ccc(CC(=O)N2CCOCC(O)C2)cc1
InChIInChI=1S/C15H19N5O3/c1-11-16-17-18-20(11)13-4-2-12(3-5-13)8-15(22)19-6-7-23-10-14(21)9-19/h2-5,14,21H,6-10H2,1H3
InChIKeyJBOJOMDBODFOFQ-UHFFFAOYSA-N
XLogP-0.27
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169418719
1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone
CID 46968284
8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146039717
(3R,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 155918605
1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone
CID 135114354
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(6-hydroxy-1,4-oxazepan-4-yl)ethanone
CID 70788494
1-[(3R,3aS,6aS)-2-methyl-3-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone;hydrochloride
CID 171707759
1-[(1S,5R)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone
CID 157020005
1-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone
CID 46968468
[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769
5-[2-(6-hydroxy-1,4-oxazepan-4-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 70734355

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone (CID 70707776) is 1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone is Cc1nnnn1-c1ccc(CC(=O)N2CCOCC(O)C2)cc1.
What is the InChIKey of 1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone?
The InChIKey is JBOJOMDBODFOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-11-16-17-18-20(11)13-4-2-12(3-5-13)8-15(22)19-6-7-23-10-14(21)9-19/h2-5,14,21H,6-10H2,1H3.
What are the key properties of 1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone?
1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone has a molecular weight of 317.35 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 70707776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).