N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide

C25H26N6O3 — CID 67091464

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide
SMILESCN(C)c1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(C(C)(C)C)on3)c3ccccc23)n1
InChIInChI=1S/C25H26N6O3/c1-25(2,3)19-14-21(30-34-19)28-23(33)22(32)17-10-11-18(16-9-7-6-8-15(16)17)27-20-12-13-26-24(29-20)31(4)5/h6-14H,1-5H3,(H,26,27,29)(H,28,30,33)
InChIKeySFCGZIMIBDUXAY-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.55
Rot. Bonds6

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide (PubChem CID 67091464) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide
PubChem CID67091464
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide
SMILESCN(C)c1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(C(C)(C)C)on3)c3ccccc23)n1
InChIInChI=1S/C25H26N6O3/c1-25(2,3)19-14-21(30-34-19)28-23(33)22(32)17-10-11-18(16-9-7-6-8-15(16)17)27-20-12-13-26-24(29-20)31(4)5/h6-14H,1-5H3,(H,26,27,29)(H,28,30,33)
InChIKeySFCGZIMIBDUXAY-UHFFFAOYSA-N
XLogP4.55
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 143285709
5-tert-butyl-3-[[2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]naphthalen-1-yl]-2-oxoacetyl]amino]thiophene-2-carboxylic acid
CID 123291944
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CID 59380902
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxo-2-[4-(pyrimidin-4-ylamino)naphthalen-1-yl]acetamide
CID 11854236
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1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
methyl 2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]naphthalen-1-yl]-2-oxoacetate
CID 59379827
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 73051566
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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide (CID 67091464) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide is CN(C)c1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(C(C)(C)C)on3)c3ccccc23)n1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide?
The InChIKey is SFCGZIMIBDUXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-25(2,3)19-14-21(30-34-19)28-23(33)22(32)17-10-11-18(16-9-7-6-8-15(16)17)27-20-12-13-26-24(29-20)31(4)5/h6-14H,1-5H3,(H,26,27,29)(H,28,30,33).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide has a molecular weight of 458.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]naphthalen-1-yl]-2-oxoacetamide is sourced from PubChem (CID 67091464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).