N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide

C17H22N4O3 — CID 87016564

IUPACN-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)CN(C)Cc1cc(C)on1)c1ccccc1
InChIInChI=1S/C17H22N4O3/c1-12-9-14(20-24-12)10-21(3)11-15(22)19-16(17(23)18-2)13-7-5-4-6-8-13/h4-9,16H,10-11H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyWTMZBPBMBULULS-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.02
Rot. Bonds7

About N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide

N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide (PubChem CID 87016564) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
PubChem CID87016564
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)CN(C)Cc1cc(C)on1)c1ccccc1
InChIInChI=1S/C17H22N4O3/c1-12-9-14(20-24-12)10-21(3)11-15(22)19-16(17(23)18-2)13-7-5-4-6-8-13/h4-9,16H,10-11H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyWTMZBPBMBULULS-UHFFFAOYSA-N
XLogP1.02
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(phenylcarbamoyl)acetamide
CID 36968374
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 87016546
N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
CID 87014725
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 87016543
N-(1,3-diphenylpyrazol-5-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 38878531
(2S)-N-methyl-2-[[2-[4-[(5-methyl-1,2-oxazol-3-yl)methylidene]piperidin-1-yl]acetyl]amino]-2-phenylacetamide
CID 97069369
(2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide
CID 94413285
N-methyl-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]benzamide
CID 37213866
N-(2,5-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 9321819
N-(2,3-dichlorophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 38877263
ethyl 1-[methyl-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]cyclohexane-1-carboxylate
CID 97029039
3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 75461414

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide?
The IUPAC name of N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide (CID 87016564) is N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide?
The canonical SMILES for N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide is CNC(=O)C(NC(=O)CN(C)Cc1cc(C)on1)c1ccccc1.
What is the InChIKey of N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide?
The InChIKey is WTMZBPBMBULULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-9-14(20-24-12)10-21(3)11-15(22)19-16(17(23)18-2)13-7-5-4-6-8-13/h4-9,16H,10-11H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide?
N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide has a molecular weight of 330.39 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide is sourced from PubChem (CID 87016564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).