5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide

C26H30N4O4 — CID 127044581

IUPAC5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1OC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C26H30N4O4/c1-17-7-8-19(28-24(31)21-15-23(34-29-21)26(2,3)4)14-22(17)33-20-9-12-30(13-10-20)25(32)18-6-5-11-27-16-18/h5-8,11,14-16,20H,9-10,12-13H2,1-4H3,(H,28,31)
InChIKeyMHWZNWQBVQAHCK-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.61
Rot. Bonds5

About 5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide

5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide (PubChem CID 127044581) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide
PubChem CID127044581
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1OC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C26H30N4O4/c1-17-7-8-19(28-24(31)21-15-23(34-29-21)26(2,3)4)14-22(17)33-20-9-12-30(13-10-20)25(32)18-6-5-11-27-16-18/h5-8,11,14-16,20H,9-10,12-13H2,1-4H3,(H,28,31)
InChIKeyMHWZNWQBVQAHCK-UHFFFAOYSA-N
XLogP4.61
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

ML381
CID 42519285
Odm-207
CID 118224658
5-(2-methoxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 3236616
Dafadine-A
CID 24790866
N-Isopropyl-6-(5-methyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-nicotinamide
CID 42630166
N-ethyl-6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 42630292
6-(5-Methyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-N-(tetrahydro-pyran-4-yl)-nicotinamide
CID 68444799
6-[[3-(5-fluoropiperidin-2-yl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 90683545
6-[[3-(5-fluoropiperidin-2-yl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 90683546
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}benzamide
CID 16187478
5-[(2,4-difluorophenoxy)methyl]-N-[1-methyl-2-(3-pyridinyl)ethyl]-3-isoxazolecarboxamide
CID 24790118
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 24791062

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide (CID 127044581) is 5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1OC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MHWZNWQBVQAHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-17-7-8-19(28-24(31)21-15-23(34-29-21)26(2,3)4)14-22(17)33-20-9-12-30(13-10-20)25(32)18-6-5-11-27-16-18/h5-8,11,14-16,20H,9-10,12-13H2,1-4H3,(H,28,31).
What are the key properties of 5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide?
5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 127044581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).