N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide

C25H30N4O3 — CID 45489447

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cnco1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H30N4O3/c1-24(2,3)18-9-11-19(12-10-18)29(23(31)20-15-27-16-32-20)21(17-8-7-13-26-14-17)22(30)28-25(4,5)6/h7-16,21H,1-6H3,(H,28,30)
InChIKeyMRJDBDRLINRLIW-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.67
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 45489447) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide
PubChem CID45489447
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cnco1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H30N4O3/c1-24(2,3)18-9-11-19(12-10-18)29(23(31)20-15-27-16-32-20)21(17-8-7-13-26-14-17)22(30)28-25(4,5)6/h7-16,21H,1-6H3,(H,28,30)
InChIKeyMRJDBDRLINRLIW-UHFFFAOYSA-N
XLogP4.67
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 156906461
CID 156906461
CID 156906926
CID 156906926
CID 156906533
CID 156906533
CID 156906786
CID 156906786
CID 167098745
CID 167098745
CID 57511059
CID 57511059
CID 89726712
CID 89726712
CID 46897838
CID 46897838
CID 156906745
CID 156906745
CID 156906748
CID 156906748
CID 156906759
CID 156906759
CID 156906506
CID 156906506

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide (CID 45489447) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide is CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cnco1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is MRJDBDRLINRLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-24(2,3)18-9-11-19(12-10-18)29(23(31)20-15-27-16-32-20)21(17-8-7-13-26-14-17)22(30)28-25(4,5)6/h7-16,21H,1-6H3,(H,28,30).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45489447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).