2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

C16H25N7O3 — CID 72839304

IUPAC2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1cc(CN(C)C(=O)Cn2nnnc2CN2C[C@@H](C)O[C@@H](C)C2)on1
InChIInChI=1S/C16H25N7O3/c1-11-5-14(26-18-11)8-21(4)16(24)10-23-15(17-19-20-23)9-22-6-12(2)25-13(3)7-22/h5,12-13H,6-10H2,1-4H3/t12-,13+
InChIKeyWRBMNQUSHDNSKB-BETUJISGSA-N
MW363.42 g/mol
LogP0.24
Rot. Bonds6

About 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 72839304) has the molecular formula C16H25N7O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID72839304
Molecular FormulaC16H25N7O3
Molecular Weight363.42 g/mol
Exact Mass363.20
IUPAC Name2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1cc(CN(C)C(=O)Cn2nnnc2CN2C[C@@H](C)O[C@@H](C)C2)on1
InChIInChI=1S/C16H25N7O3/c1-11-5-14(26-18-11)8-21(4)16(24)10-23-15(17-19-20-23)9-22-6-12(2)25-13(3)7-22/h5,12-13H,6-10H2,1-4H3/t12-,13+
InChIKeyWRBMNQUSHDNSKB-BETUJISGSA-N
XLogP0.24
TPSA102.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (CID 72839304) is 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is Cc1cc(CN(C)C(=O)Cn2nnnc2CN2C[C@@H](C)O[C@@H](C)C2)on1.
What is the InChIKey of 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is WRBMNQUSHDNSKB-BETUJISGSA-N. The full InChI is InChI=1S/C16H25N7O3/c1-11-5-14(26-18-11)8-21(4)16(24)10-23-15(17-19-20-23)9-22-6-12(2)25-13(3)7-22/h5,12-13H,6-10H2,1-4H3/t12-,13+.
What are the key properties of 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 72839304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).