N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide

C18H18N4O3 — CID 167818481

IUPACN-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide
SMILESCC(=O)NC1CC(N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)C1
InChIInChI=1S/C18H18N4O3/c1-11(23)20-14-7-15(8-14)22(2)18(24)17-9-16(21-25-17)13-5-3-4-12(6-13)10-19/h3-6,9,14-15H,7-8H2,1-2H3,(H,20,23)
InChIKeyVYEFRWYBIOGIRE-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.95
Rot. Bonds4

About N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide

N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 167818481) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide
PubChem CID167818481
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide
SMILESCC(=O)NC1CC(N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)C1
InChIInChI=1S/C18H18N4O3/c1-11(23)20-14-7-15(8-14)22(2)18(24)17-9-16(21-25-17)13-5-3-4-12(6-13)10-19/h3-6,9,14-15H,7-8H2,1-2H3,(H,20,23)
InChIKeyVYEFRWYBIOGIRE-UHFFFAOYSA-N
XLogP1.95
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide
CID 163770056
3-(5-chloro-1,2-oxazol-3-yl)benzonitrile
CID 18612646
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 163315410
1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide
CID 155622173
N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121439934
N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 121448126
N-[3-(azidomethyl)cyclobutyl]-3-[3-(3-hydroxyprop-1-ynyl)phenyl]-1,2-oxazole-5-carboxamide
CID 154933062
N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide
CID 163915439
3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide
CID 167981021
N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46472289
N-(1-imino-1-oxothiolan-3-yl)-N-methyl-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 166269927
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide (CID 167818481) is N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide is CC(=O)NC1CC(N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)C1.
What is the InChIKey of N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is VYEFRWYBIOGIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(23)20-14-7-15(8-14)22(2)18(24)17-9-16(21-25-17)13-5-3-4-12(6-13)10-19/h3-6,9,14-15H,7-8H2,1-2H3,(H,20,23).
What are the key properties of N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide?
N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 167818481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).