N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide

C19H19N3O3 — CID 110680867

IUPACN,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1c(-c2ccccc2)c(=O)on1C
InChIInChI=1S/C19H19N3O3/c1-21(13-10-14-8-11-20-12-9-14)18(23)17-16(19(24)25-22(17)2)15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3
InChIKeyPUFTXFSEFJNKRT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.36
Rot. Bonds5

About N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide

N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 110680867) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID110680867
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1c(-c2ccccc2)c(=O)on1C
InChIInChI=1S/C19H19N3O3/c1-21(13-10-14-8-11-20-12-9-14)18(23)17-16(19(24)25-22(17)2)15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3
InChIKeyPUFTXFSEFJNKRT-UHFFFAOYSA-N
XLogP2.36
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680851
N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide
CID 113204375
N-methyl-6-phenyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 110683644
N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680866
1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
CID 108989280
4-amino-N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
CID 66123007
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
CID 110440706
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689492
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide (CID 110680867) is N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide is CN(CCc1ccncc1)C(=O)c1c(-c2ccccc2)c(=O)on1C.
What is the InChIKey of N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PUFTXFSEFJNKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-21(13-10-14-8-11-20-12-9-14)18(23)17-16(19(24)25-22(17)2)15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3.
What are the key properties of N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide?
N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110680867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).