N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C16H19N3O4 — CID 97417837

IUPACN-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCO[C@H](CNC(=O)C(=O)Nc1cc(C)on1)c1ccccc1C
InChIInChI=1S/C16H19N3O4/c1-10-6-4-5-7-12(10)13(22-3)9-17-15(20)16(21)18-14-8-11(2)23-19-14/h4-8,13H,9H2,1-3H3,(H,17,20)(H,18,19,21)/t13-/m1/s1
InChIKeyQUXKNKHHMADNOH-CYBMUJFWSA-N
MW317.35 g/mol
LogP1.73
Rot. Bonds5

About N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 97417837) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID97417837
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCO[C@H](CNC(=O)C(=O)Nc1cc(C)on1)c1ccccc1C
InChIInChI=1S/C16H19N3O4/c1-10-6-4-5-7-12(10)13(22-3)9-17-15(20)16(21)18-14-8-11(2)23-19-14/h4-8,13H,9H2,1-3H3,(H,17,20)(H,18,19,21)/t13-/m1/s1
InChIKeyQUXKNKHHMADNOH-CYBMUJFWSA-N
XLogP1.73
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 90598970
1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47021762
N'-(3,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598995
N'-(3-chloro-2-methylphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598984
N'-cyclopropyl-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 71810552
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide
CID 71810558
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 90598675
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
N'-(2,3-dimethylphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598203
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 90598726
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 90623949

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 97417837) is N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is CO[C@H](CNC(=O)C(=O)Nc1cc(C)on1)c1ccccc1C.
What is the InChIKey of N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is QUXKNKHHMADNOH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-6-4-5-7-12(10)13(22-3)9-17-15(20)16(21)18-14-8-11(2)23-19-14/h4-8,13H,9H2,1-3H3,(H,17,20)(H,18,19,21)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 317.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 97417837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).