N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide

C17H21N3O3 — CID 97326645

IUPACN'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide
SMILESCC[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(-c2ncco2)c1
InChIInChI=1S/C17H21N3O3/c1-4-12(2)11-20(3)17(22)15(21)19-14-7-5-6-13(10-14)16-18-8-9-23-16/h5-10,12H,4,11H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyQYIIVTHYUKUZIT-LBPRGKRZSA-N
MW315.37 g/mol
LogP2.78
Rot. Bonds5

About N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide

N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide (PubChem CID 97326645) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide
PubChem CID97326645
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide
SMILESCC[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(-c2ncco2)c1
InChIInChI=1S/C17H21N3O3/c1-4-12(2)11-20(3)17(22)15(21)19-14-7-5-6-13(10-14)16-18-8-9-23-16/h5-10,12H,4,11H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyQYIIVTHYUKUZIT-LBPRGKRZSA-N
XLogP2.78
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 122159499
4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
CID 75388652
N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide
CID 75388529
1-[(1S)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 97086301
2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122088128
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 97098726
1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 71910271
diethylcarbamoyl 3-(1,3-oxazol-2-yl)benzoate
CID 91105777
2-methyl-3-[methyl-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122086674
N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide
CID 71888764
4-hydrazinyl-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide
CID 62242835
4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 86803982

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide?
The IUPAC name of N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide (CID 97326645) is N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide.
What is the SMILES notation for N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide?
The canonical SMILES for N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide is CC[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(-c2ncco2)c1.
What is the InChIKey of N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide?
The InChIKey is QYIIVTHYUKUZIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-12(2)11-20(3)17(22)15(21)19-14-7-5-6-13(10-14)16-18-8-9-23-16/h5-10,12H,4,11H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide?
N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide has a molecular weight of 315.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide is sourced from PubChem (CID 97326645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).