N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide

C22H20N2O3 — CID 75420147

IUPACN-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide
SMILESC#CCOc1ccc(N(C)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C22H20N2O3/c1-4-14-26-19-12-10-18(11-13-19)24(3)21(25)15-20-16(2)27-22(23-20)17-8-6-5-7-9-17/h1,5-13H,14-15H2,2-3H3
InChIKeyLAUMEZMSAXGQJJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.87
Rot. Bonds6

About N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide

N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide (PubChem CID 75420147) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide
PubChem CID75420147
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide
SMILESC#CCOc1ccc(N(C)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C22H20N2O3/c1-4-14-26-19-12-10-18(11-13-19)24(3)21(25)15-20-16(2)27-22(23-20)17-8-6-5-7-9-17/h1,5-13H,14-15H2,2-3H3
InChIKeyLAUMEZMSAXGQJJ-UHFFFAOYSA-N
XLogP3.87
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 15751813
N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 97311968
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51337132
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51335973
N'-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N'-phenylacetohydrazide
CID 51112549
N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide
CID 110426034
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
1-[methyl-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120539918
N-methyl-1-phenyl-N-(4-prop-2-ynoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 84593484
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate
CID 15280381
3-ethoxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-oxopropanoic acid
CID 10788402

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide?
The IUPAC name of N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide (CID 75420147) is N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide.
What is the SMILES notation for N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide?
The canonical SMILES for N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide is C#CCOc1ccc(N(C)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide?
The InChIKey is LAUMEZMSAXGQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-4-14-26-19-12-10-18(11-13-19)24(3)21(25)15-20-16(2)27-22(23-20)17-8-6-5-7-9-17/h1,5-13H,14-15H2,2-3H3.
What are the key properties of N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide?
N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide has a molecular weight of 360.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide is sourced from PubChem (CID 75420147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).