3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide

C15H19N5O3 — CID 97110651

IUPAC3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc([C@H](C(=O)NCc2noc(C(N)=O)n2)N(C)C)cc1
InChIInChI=1S/C15H19N5O3/c1-9-4-6-10(7-5-9)12(20(2)3)14(22)17-8-11-18-15(13(16)21)23-19-11/h4-7,12H,8H2,1-3H3,(H2,16,21)(H,17,22)/t12-/m1/s1
InChIKeyQWBKDWFXARWEDA-GFCCVEGCSA-N
MW317.35 g/mol
LogP0.40
Rot. Bonds6

About 3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 97110651) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID97110651
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc([C@H](C(=O)NCc2noc(C(N)=O)n2)N(C)C)cc1
InChIInChI=1S/C15H19N5O3/c1-9-4-6-10(7-5-9)12(20(2)3)14(22)17-8-11-18-15(13(16)21)23-19-11/h4-7,12H,8H2,1-3H3,(H2,16,21)(H,17,22)/t12-/m1/s1
InChIKeyQWBKDWFXARWEDA-GFCCVEGCSA-N
XLogP0.40
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 97200456
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2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
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4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid
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(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]acetamide
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2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide
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(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide
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(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
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3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 97110651) is 3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1ccc([C@H](C(=O)NCc2noc(C(N)=O)n2)N(C)C)cc1.
What is the InChIKey of 3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is QWBKDWFXARWEDA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9-4-6-10(7-5-9)12(20(2)3)14(22)17-8-11-18-15(13(16)21)23-19-11/h4-7,12H,8H2,1-3H3,(H2,16,21)(H,17,22)/t12-/m1/s1.
What are the key properties of 3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 97110651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).