(2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide

C12H14N4O3 — CID 136728323

IUPAC(2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
SMILESCO[C@H](C(=O)NCc1n[nH]c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C12H14N4O3/c1-19-10(8-5-3-2-4-6-8)11(17)13-7-9-14-12(18)16-15-9/h2-6,10H,7H2,1H3,(H,13,17)(H2,14,15,16,18)/t10-/m0/s1
InChIKeyJLMWBPROKKLUOH-JTQLQIEISA-N
MW262.27 g/mol
LogP0.10
Rot. Bonds5

About (2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide

(2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide (PubChem CID 136728323) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
PubChem CID136728323
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name(2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
SMILESCO[C@H](C(=O)NCc1n[nH]c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C12H14N4O3/c1-19-10(8-5-3-2-4-6-8)11(17)13-7-9-14-12(18)16-15-9/h2-6,10H,7H2,1H3,(H,13,17)(H2,14,15,16,18)/t10-/m0/s1
InChIKeyJLMWBPROKKLUOH-JTQLQIEISA-N
XLogP0.10
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide with MolForge

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Related Compounds

(2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide
CID 99949568
2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 16672586
3-(dibenzylamino)-2-fluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
CID 136556120
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 77097676
(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
CID 99995565
2-methoxy-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-phenylacetamide
CID 91791842
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861
N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide
CID 76934963
(2R)-2-methoxy-2-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]acetamide
CID 100680507
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide (CID 136728323) is (2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide is CO[C@H](C(=O)NCc1n[nH]c(=O)[nH]1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide?
The InChIKey is JLMWBPROKKLUOH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N4O3/c1-19-10(8-5-3-2-4-6-8)11(17)13-7-9-14-12(18)16-15-9/h2-6,10H,7H2,1H3,(H,13,17)(H2,14,15,16,18)/t10-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide?
(2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide has a molecular weight of 262.27 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 136728323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).