N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C22H27N5O4 — CID 4783580

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C(=O)c1c(-c2ccccc2)noc1C)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H27N5O4/c1-4-6-13-26(18-19(23)27(12-5-2)22(30)24-20(18)28)21(29)16-14(3)31-25-17(16)15-10-8-7-9-11-15/h7-11H,4-6,12-13,23H2,1-3H3,(H,24,28,30)
InChIKeyCLTJARNGXPINQU-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.94
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 4783580) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID4783580
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C(=O)c1c(-c2ccccc2)noc1C)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H27N5O4/c1-4-6-13-26(18-19(23)27(12-5-2)22(30)24-20(18)28)21(29)16-14(3)31-25-17(16)15-10-8-7-9-11-15/h7-11H,4-6,12-13,23H2,1-3H3,(H,24,28,30)
InChIKeyCLTJARNGXPINQU-UHFFFAOYSA-N
XLogP2.94
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 4783580) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCCCN(C(=O)c1c(-c2ccccc2)noc1C)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is CLTJARNGXPINQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-4-6-13-26(18-19(23)27(12-5-2)22(30)24-20(18)28)21(29)16-14(3)31-25-17(16)15-10-8-7-9-11-15/h7-11H,4-6,12-13,23H2,1-3H3,(H,24,28,30).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4783580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).