N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide

C18H22N2O3 — CID 59420462

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(CC(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C18H22N2O3/c1-5-10-22-14-8-6-13(7-9-14)11-16(21)19-17-12-15(20-23-17)18(2,3)4/h5-9,12H,1,10-11H2,2-4H3,(H,19,21)
InChIKeyYBTDUSQHLHEQTB-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.72
Rot. Bonds6

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide (PubChem CID 59420462) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide
PubChem CID59420462
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(CC(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C18H22N2O3/c1-5-10-22-14-8-6-13(7-9-14)11-16(21)19-17-12-15(20-23-17)18(2,3)4/h5-9,12H,1,10-11H2,2-4H3,(H,19,21)
InChIKeyYBTDUSQHLHEQTB-UHFFFAOYSA-N
XLogP3.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 18227468
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8695068
2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 38903544
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 38906083
(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
CID 104875003
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8754882
2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 66967919
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide
CID 156704759
4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674488
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8794463

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide (CID 59420462) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(CC(=O)Nc2cc(C(C)(C)C)no2)cc1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide?
The InChIKey is YBTDUSQHLHEQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-5-10-22-14-8-6-13(7-9-14)11-16(21)19-17-12-15(20-23-17)18(2,3)4/h5-9,12H,1,10-11H2,2-4H3,(H,19,21).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide has a molecular weight of 314.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 59420462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).