N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide

C13H13N3O3 — CID 41452995

IUPACN-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)Nc1ccon1)c1ccccc1
InChIInChI=1S/C13H13N3O3/c1-9(10-5-3-2-4-6-10)14-12(17)13(18)15-11-7-8-19-16-11/h2-9H,1H3,(H,14,17)(H,15,16,18)/t9-/m1/s1
InChIKeyLKIXYASABBXJNH-SECBINFHSA-N
MW259.26 g/mol
LogP1.49
Rot. Bonds3

About N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide

N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide (PubChem CID 41452995) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide
PubChem CID41452995
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)Nc1ccon1)c1ccccc1
InChIInChI=1S/C13H13N3O3/c1-9(10-5-3-2-4-6-10)14-12(17)13(18)15-11-7-8-19-16-11/h2-9H,1H3,(H,14,17)(H,15,16,18)/t9-/m1/s1
InChIKeyLKIXYASABBXJNH-SECBINFHSA-N
XLogP1.49
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.49
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

4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide
CID 42628367
N-(5-methyl-2-pyridinyl)-N'-(1-phenylethyl)oxamide
CID 44997207
2,3-dimethyl-4-(1,2-oxazol-3-ylamino)-4-oxobut-2-enoic acid
CID 76992297
N-(2-chlorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2291188
N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide
CID 108507943
N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide
CID 2249399
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 9402765
N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
CID 44997308
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide
CID 106591393
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide (CID 41452995) is N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide is C[C@@H](NC(=O)C(=O)Nc1ccon1)c1ccccc1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide?
The InChIKey is LKIXYASABBXJNH-SECBINFHSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9(10-5-3-2-4-6-10)14-12(17)13(18)15-11-7-8-19-16-11/h2-9H,1H3,(H,14,17)(H,15,16,18)/t9-/m1/s1.
What are the key properties of N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide?
N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide has a molecular weight of 259.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 41452995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).