N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C17H19N3O2 — CID 39861861

IUPACN-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C17H19N3O2/c1-11(2)16-15(12(3)19-22-16)17(21)20(4)10-14-7-5-13(9-18)6-8-14/h5-8,11H,10H2,1-4H3
InChIKeyZEKOUUXMFPEGMP-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.25
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 39861861) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID39861861
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C17H19N3O2/c1-11(2)16-15(12(3)19-22-16)17(21)20(4)10-14-7-5-13(9-18)6-8-14/h5-8,11H,10H2,1-4H3
InChIKeyZEKOUUXMFPEGMP-UHFFFAOYSA-N
XLogP3.25
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 39858071
N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55580007
N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 33354725
N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55580286
4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102864
N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 113248560
N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 64511025
1-benzyl-5-chloro-N-[(4-cyanophenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 39858414
N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 39859854
N-[(4-cyanophenyl)methyl]-N,2,3-trimethylbenzamide
CID 39858837
2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide
CID 134054757
N-[1-[(4-cyanophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 134054747

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 39861861) is N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)N(C)Cc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is ZEKOUUXMFPEGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11(2)16-15(12(3)19-22-16)17(21)20(4)10-14-7-5-13(9-18)6-8-14/h5-8,11H,10H2,1-4H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39861861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).