N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide

C16H19N3O3 — CID 51959353

IUPACN'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCCc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C16H19N3O3/c1-4-12-5-7-13(8-6-12)11(3)17-15(20)16(21)18-14-9-10(2)22-19-14/h5-9,11H,4H2,1-3H3,(H,17,20)(H,18,19,21)/t11-/m0/s1
InChIKeyWCLPFCNUNRSWIS-NSHDSACASA-N
MW301.35 g/mol
LogP2.36
Rot. Bonds4

About N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide

N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 51959353) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID51959353
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCCc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C16H19N3O3/c1-4-12-5-7-13(8-6-12)11(3)17-15(20)16(21)18-14-9-10(2)22-19-14/h5-9,11H,4H2,1-3H3,(H,17,20)(H,18,19,21)/t11-/m0/s1
InChIKeyWCLPFCNUNRSWIS-NSHDSACASA-N
XLogP2.36
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996041
N-(3,5-dimethylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511070
(2S)-2-(4-ethylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40636839
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
N-(4-bromo-2-methylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511113
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]ethyl]sulfanylacetamide
CID 36612644
N-(5-chloro-2-methylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510908
N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511128
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511055
N-(2,4-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108502742
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 51959353) is N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide is CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is WCLPFCNUNRSWIS-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-12-5-7-13(8-6-12)11(3)17-15(20)16(21)18-14-9-10(2)22-19-14/h5-9,11H,4H2,1-3H3,(H,17,20)(H,18,19,21)/t11-/m0/s1.
What are the key properties of N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 301.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 51959353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).