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

C26H25N3O2 — CID 139583066

IUPACN-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)c2ccccn2)cc1
InChIInChI=1S/C26H25N3O2/c1-26(2,3)21-14-12-19(13-15-21)18-29(24-11-7-8-16-27-24)25(30)22-17-23(31-28-22)20-9-5-4-6-10-20/h4-17H,18H2,1-3H3
InChIKeyYBPDLKSIBMCSCW-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.88
Rot. Bonds5

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

N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 139583066) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
PubChem CID139583066
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)c2ccccn2)cc1
InChIInChI=1S/C26H25N3O2/c1-26(2,3)21-14-12-19(13-15-21)18-29(24-11-7-8-16-27-24)25(30)22-17-23(31-28-22)20-9-5-4-6-10-20/h4-17H,18H2,1-3H3
InChIKeyYBPDLKSIBMCSCW-UHFFFAOYSA-N
XLogP5.88
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 139582584
N-[(4-tert-butylphenyl)methyl]-3,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583072
N-[(4-tert-butylphenyl)methyl]-2,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583068
4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 35573650
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449
N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 35133566
N-[(2R)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 26833910
N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 121167614
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39447049
N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112845456
N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
CID 71090833

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide (CID 139583066) is N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide is CC(C)(C)c1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)c2ccccn2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is YBPDLKSIBMCSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-26(2,3)21-14-12-19(13-15-21)18-29(24-11-7-8-16-27-24)25(30)22-17-23(31-28-22)20-9-5-4-6-10-20/h4-17H,18H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139583066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).