2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide

C18H21N7O3 — CID 72879777

IUPAC2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
SMILESO=C(Cn1nnnc1CN1CCOCC1)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C18H21N7O3/c26-17(12-25-16(21-22-23-25)11-24-6-8-27-9-7-24)19-10-15-13-28-18(20-15)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,26)
InChIKeyVNNRFLJKFMYOBK-UHFFFAOYSA-N
MW383.41 g/mol
LogP0.48
Rot. Bonds7

About 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide

2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide (PubChem CID 72879777) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
PubChem CID72879777
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
SMILESO=C(Cn1nnnc1CN1CCOCC1)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C18H21N7O3/c26-17(12-25-16(21-22-23-25)11-24-6-8-27-9-7-24)19-10-15-13-28-18(20-15)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,26)
InChIKeyVNNRFLJKFMYOBK-UHFFFAOYSA-N
XLogP0.48
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide with MolForge

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Related Compounds

2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552737
N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
CID 45174100
N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55900598
N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
CID 72844031
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 72912535
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111591094
1-morpholin-4-yl-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38549400
4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120932270
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 39470681
N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 42158113
2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 72868747
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 134061367

Frequently Asked Questions

What is the IUPAC name of 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide (CID 72879777) is 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide is O=C(Cn1nnnc1CN1CCOCC1)NCc1coc(-c2ccccc2)n1.
What is the InChIKey of 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide?
The InChIKey is VNNRFLJKFMYOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c26-17(12-25-16(21-22-23-25)11-24-6-8-27-9-7-24)19-10-15-13-28-18(20-15)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,26).
What are the key properties of 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide?
2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide has a molecular weight of 383.41 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide is sourced from PubChem (CID 72879777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).