cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate

C19H25N5O3 — CID 646384

IUPACcyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate
SMILESO=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)OC1CCCCC1
InChIInChI=1S/C19H25N5O3/c25-18(27-17-4-2-1-3-5-17)14-24-21-19(20-22-24)15-6-8-16(9-7-15)23-10-12-26-13-11-23/h6-9,17H,1-5,10-14H2
InChIKeyKAQJGNXNYWIYGY-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.05
Rot. Bonds5

About cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate

cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate (PubChem CID 646384) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate
PubChem CID646384
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Namecyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate
SMILESO=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)OC1CCCCC1
InChIInChI=1S/C19H25N5O3/c25-18(27-17-4-2-1-3-5-17)14-24-21-19(20-22-24)15-6-8-16(9-7-15)23-10-12-26-13-11-23/h6-9,17H,1-5,10-14H2
InChIKeyKAQJGNXNYWIYGY-UHFFFAOYSA-N
XLogP2.05
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 646660
2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide
CID 1157274
N-(2-Morpholin-4-yl-phenyl)-2-(5-phenyl-tetrazol-2-yl)-acetamide
CID 646319
N-(2-methylphenyl)-2-[5-[4-(4-morpholinyl)phenyl]-2-tetrazolyl]acetamide
CID 652930
1-Morpholin-4-yl-2-[5-(4-morpholin-4-yl-phenyl)-tetrazol-2-yl]-ethanone
CID 1136667
methyl 1-[2-(5-phenyltetrazol-2-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14879881
2-[5-(4-Morpholin-4-ylphenyl)tetrazol-2-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1373945
2-amino-N-[6-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]hexyl]acetamide;dihydrochloride
CID 177648305
N-(4-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166105
N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1373954
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 18228879
N-(2-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 23857778

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate?
The IUPAC name of cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate (CID 646384) is cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate?
The canonical SMILES for cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate is O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate?
The InChIKey is KAQJGNXNYWIYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-18(27-17-4-2-1-3-5-17)14-24-21-19(20-22-24)15-6-8-16(9-7-15)23-10-12-26-13-11-23/h6-9,17H,1-5,10-14H2.
What are the key properties of cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate?
cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate has a molecular weight of 371.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 646384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).