N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

C25H29N5O4 — CID 156906512

IUPACN-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)C(=O)CNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H29N5O4/c1-25(2,3)18-8-10-19(11-9-18)30(24(33)20-15-34-16-28-20)22(17-7-6-12-26-13-17)23(32)27-14-21(31)29(4)5/h6-13,15-16,22H,14H2,1-5H3,(H,27,32)
InChIKeyQGXXCVWFZDKXPT-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.96
Rot. Bonds7

About N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906512) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID156906512
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC NameN-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)C(=O)CNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H29N5O4/c1-25(2,3)18-8-10-19(11-9-18)30(24(33)20-15-34-16-28-20)22(17-7-6-12-26-13-17)23(32)27-14-21(31)29(4)5/h6-13,15-16,22H,14H2,1-5H3,(H,27,32)
InChIKeyQGXXCVWFZDKXPT-UHFFFAOYSA-N
XLogP2.96
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906512) is N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is CN(C)C(=O)CNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is QGXXCVWFZDKXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-25(2,3)18-8-10-19(11-9-18)30(24(33)20-15-34-16-28-20)22(17-7-6-12-26-13-17)23(32)27-14-21(31)29(4)5/h6-13,15-16,22H,14H2,1-5H3,(H,27,32).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).