N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

C16H26N8O3 — CID 72875505

IUPACN-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCC(C)c1nc(CCN(C)C(=O)Cn2nnnc2CN2CCOCC2)no1
InChIInChI=1S/C16H26N8O3/c1-12(2)16-17-13(19-27-16)4-5-22(3)15(25)11-24-14(18-20-21-24)10-23-6-8-26-9-7-23/h12H,4-11H2,1-3H3
InChIKeyZYJNYILRMJDNLS-UHFFFAOYSA-N
MW378.44 g/mol
LogP-0.29
Rot. Bonds8

About N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 72875505) has the molecular formula C16H26N8O3 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID72875505
Molecular FormulaC16H26N8O3
Molecular Weight378.44 g/mol
Exact Mass378.21
IUPAC NameN-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCC(C)c1nc(CCN(C)C(=O)Cn2nnnc2CN2CCOCC2)no1
InChIInChI=1S/C16H26N8O3/c1-12(2)16-17-13(19-27-16)4-5-22(3)15(25)11-24-14(18-20-21-24)10-23-6-8-26-9-7-23/h12H,4-11H2,1-3H3
InChIKeyZYJNYILRMJDNLS-UHFFFAOYSA-N
XLogP-0.29
TPSA115.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 72875505) is N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is CC(C)c1nc(CCN(C)C(=O)Cn2nnnc2CN2CCOCC2)no1.
What is the InChIKey of N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is ZYJNYILRMJDNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8O3/c1-12(2)16-17-13(19-27-16)4-5-22(3)15(25)11-24-14(18-20-21-24)10-23-6-8-26-9-7-23/h12H,4-11H2,1-3H3.
What are the key properties of N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 378.44 g/mol, XLogP of -0.29, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 72875505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).