2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C19H21N5O2 — CID 50984303

IUPAC2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1cccc(C(C(=O)NCc2nc(-c3cccnc3)no2)N(C)C)c1
InChIInChI=1S/C19H21N5O2/c1-13-6-4-7-14(10-13)17(24(2)3)19(25)21-12-16-22-18(23-26-16)15-8-5-9-20-11-15/h4-11,17H,12H2,1-3H3,(H,21,25)
InChIKeyCDXUCJNANXNXMU-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.36
Rot. Bonds6

About 2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 50984303) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID50984303
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1cccc(C(C(=O)NCc2nc(-c3cccnc3)no2)N(C)C)c1
InChIInChI=1S/C19H21N5O2/c1-13-6-4-7-14(10-13)17(24(2)3)19(25)21-12-16-22-18(23-26-16)15-8-5-9-20-11-15/h4-11,17H,12H2,1-3H3,(H,21,25)
InChIKeyCDXUCJNANXNXMU-UHFFFAOYSA-N
XLogP2.36
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 50984303) is 2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is Cc1cccc(C(C(=O)NCc2nc(-c3cccnc3)no2)N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is CDXUCJNANXNXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-6-4-7-14(10-13)17(24(2)3)19(25)21-12-16-22-18(23-26-16)15-8-5-9-20-11-15/h4-11,17H,12H2,1-3H3,(H,21,25).
What are the key properties of 2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 50984303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).