2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone

C15H18ClN5O2 — CID 7350524

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)Cn2nnc(-c3ccccc3Cl)n2)C[C@H](C)O1
InChIInChI=1S/C15H18ClN5O2/c1-10-7-20(8-11(2)23-10)14(22)9-21-18-15(17-19-21)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyLTFRKZFKNHVECF-QWRGUYRKSA-N
MW335.80 g/mol
LogP1.63
Rot. Bonds3

About 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone

2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone (PubChem CID 7350524) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
PubChem CID7350524
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)Cn2nnc(-c3ccccc3Cl)n2)C[C@H](C)O1
InChIInChI=1S/C15H18ClN5O2/c1-10-7-20(8-11(2)23-10)14(22)9-21-18-15(17-19-21)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyLTFRKZFKNHVECF-QWRGUYRKSA-N
XLogP1.63
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7350531
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]ethanone
CID 40891698
1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone
CID 16765364
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9120378
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 4810015
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7350365
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4810024
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
CID 40856028

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone (CID 7350524) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone is C[C@H]1CN(C(=O)Cn2nnc(-c3ccccc3Cl)n2)C[C@H](C)O1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The InChIKey is LTFRKZFKNHVECF-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-10-7-20(8-11(2)23-10)14(22)9-21-18-15(17-19-21)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone has a molecular weight of 335.80 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 7350524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).