N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide

C22H25N3O3 — CID 166193213

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccnc2)c1C(=O)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-15-19(20(25-28-15)16-6-5-11-23-14-16)21(26)24-12-13-27-18-9-7-17(8-10-18)22(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,24,26)
InChIKeyWRLWZWGZVNWKJA-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.15
Rot. Bonds6

About N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide

N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (PubChem CID 166193213) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
PubChem CID166193213
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccnc2)c1C(=O)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-15-19(20(25-28-15)16-6-5-11-23-14-16)21(26)24-12-13-27-18-9-7-17(8-10-18)22(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,24,26)
InChIKeyWRLWZWGZVNWKJA-UHFFFAOYSA-N
XLogP4.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001838
N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53015749
N-[(2-ethoxyphenyl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001859
N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001840
5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142774008
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
N-[(2-chloro-1,3-oxazol-4-yl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166371286
N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 53001941
N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 63237842
N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46096966
2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
CID 3405696
5-[(4-tert-butylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1085872

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (CID 166193213) is N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is Cc1onc(-c2cccnc2)c1C(=O)NCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The InChIKey is WRLWZWGZVNWKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-19(20(25-28-15)16-6-5-11-23-14-16)21(26)24-12-13-27-18-9-7-17(8-10-18)22(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,24,26).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166193213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).