N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide

C25H25N5O4 — CID 2541431

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
SMILESCCCN(C(=O)c1c(-c2ccccc2)noc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H25N5O4/c1-3-14-29(24(32)19-16(2)34-28-20(19)18-12-8-5-9-13-18)21-22(26)30(25(33)27-23(21)31)15-17-10-6-4-7-11-17/h4-13H,3,14-15,26H2,1-2H3,(H,27,31,33)
InChIKeyKDLQUKOEWQVTSG-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.19
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide (PubChem CID 2541431) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
PubChem CID2541431
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
SMILESCCCN(C(=O)c1c(-c2ccccc2)noc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H25N5O4/c1-3-14-29(24(32)19-16(2)34-28-20(19)18-12-8-5-9-13-18)21-22(26)30(25(33)27-23(21)31)15-17-10-6-4-7-11-17/h4-13H,3,14-15,26H2,1-2H3,(H,27,31,33)
InChIKeyKDLQUKOEWQVTSG-UHFFFAOYSA-N
XLogP3.19
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide (CID 2541431) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide is CCCN(C(=O)c1c(-c2ccccc2)noc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide?
The InChIKey is KDLQUKOEWQVTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-3-14-29(24(32)19-16(2)34-28-20(19)18-12-8-5-9-13-18)21-22(26)30(25(33)27-23(21)31)15-17-10-6-4-7-11-17/h4-13H,3,14-15,26H2,1-2H3,(H,27,31,33).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2541431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).