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

C17H21N3O4 — CID 20766839

IUPACN'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1ocnc1C
InChIInChI=1S/C17H21N3O4/c1-10-14(24-9-18-10)12-7-6-11(8-13(12)23-5)19-15(21)16(22)20-17(2,3)4/h6-9H,1-5H3,(H,19,21)(H,20,22)
InChIKeyKAIFDOGMBQEMFK-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.51
Rot. Bonds3

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

N'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 20766839) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID20766839
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1ocnc1C
InChIInChI=1S/C17H21N3O4/c1-10-14(24-9-18-10)12-7-6-11(8-13(12)23-5)19-15(21)16(22)20-17(2,3)4/h6-9H,1-5H3,(H,19,21)(H,20,22)
InChIKeyKAIFDOGMBQEMFK-UHFFFAOYSA-N
XLogP2.51
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide (CID 20766839) is N'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1ocnc1C.
What is the InChIKey of N'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is KAIFDOGMBQEMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10-14(24-9-18-10)12-7-6-11(8-13(12)23-5)19-15(21)16(22)20-17(2,3)4/h6-9H,1-5H3,(H,19,21)(H,20,22).
What are the key properties of N'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide?
N'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 331.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 20766839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).