N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide

C17H22N4O3 — CID 99777442

IUPACN-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCOC[C@@H]2c2nc(C)no2)c1
InChIInChI=1S/C17H22N4O3/c1-11-6-12(2)8-14(7-11)19-16(22)9-21-4-5-23-10-15(21)17-18-13(3)20-24-17/h6-8,15H,4-5,9-10H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyNIBCWQVXNNYUSG-OAHLLOKOSA-N
MW330.39 g/mol
LogP2.01
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide

N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide (PubChem CID 99777442) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide
PubChem CID99777442
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCOC[C@@H]2c2nc(C)no2)c1
InChIInChI=1S/C17H22N4O3/c1-11-6-12(2)8-14(7-11)19-16(22)9-21-4-5-23-10-15(21)17-18-13(3)20-24-17/h6-8,15H,4-5,9-10H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyNIBCWQVXNNYUSG-OAHLLOKOSA-N
XLogP2.01
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide (CID 99777442) is N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide is Cc1cc(C)cc(NC(=O)CN2CCOC[C@@H]2c2nc(C)no2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide?
The InChIKey is NIBCWQVXNNYUSG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-6-12(2)8-14(7-11)19-16(22)9-21-4-5-23-10-15(21)17-18-13(3)20-24-17/h6-8,15H,4-5,9-10H2,1-3H3,(H,19,22)/t15-/m1/s1.
What are the key properties of N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide is sourced from PubChem (CID 99777442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).