N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide

C16H19N3O3 — CID 20766928

IUPACN'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide
SMILESCc1ncoc1-c1ccc(NC(=O)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H19N3O3/c1-10-13(22-9-17-10)11-5-7-12(8-6-11)18-14(20)15(21)19-16(2,3)4/h5-9H,1-4H3,(H,18,20)(H,19,21)
InChIKeyQBCKNJRUWGSXDR-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.50
Rot. Bonds2

About N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide

N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 20766928) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID20766928
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide
SMILESCc1ncoc1-c1ccc(NC(=O)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H19N3O3/c1-10-13(22-9-17-10)11-5-7-12(8-6-11)18-14(20)15(21)19-16(2,3)4/h5-9H,1-4H3,(H,18,20)(H,19,21)
InChIKeyQBCKNJRUWGSXDR-UHFFFAOYSA-N
XLogP2.50
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.50
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-(3-Benzooxazol-7-yl-propyl)-acetamide
CID 22718532
N-(3-Benzooxazol-7-yl-propyl)-propionamide
CID 22718564
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
CID 117800355
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
4-(1,3-Oxazol-5-yl)aniline
CID 517747
N-(3-Benzooxazol-7-yl-propyl)-butyramide
CID 44349108
N-tert-butyl-N'-[3-methoxy-4-(5-oxazolyl)phenyl]oxalamide
CID 9797026
N-(2-Dimethylamino-1,1-dimethyl-ethyl)-N''-(3-methoxy-4-oxazol-5-yl-phenyl)-oxalamide
CID 9798978
N-(2-Hydroxy-1,1-dimethyl-ethyl)-N''-(3-methoxy-4-oxazol-5-yl-phenyl)-oxalamide
CID 9819013
N-tert-Butyl-N''-(3-chloro-4-oxazol-5-yl-phenyl)-oxalamide
CID 9901690
N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide
CID 9949676

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide (CID 20766928) is N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide is Cc1ncoc1-c1ccc(NC(=O)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is QBCKNJRUWGSXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-13(22-9-17-10)11-5-7-12(8-6-11)18-14(20)15(21)19-16(2,3)4/h5-9H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide?
N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 301.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 20766928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).