N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C20H23N5O4 — CID 51261970

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCCCn1c(N)c(N(C)C(=O)Cc2coc(-c3ccccc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C20H23N5O4/c1-3-4-10-25-17(21)16(18(27)23-20(25)28)24(2)15(26)11-14-12-29-19(22-14)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11,21H2,1-2H3,(H,23,27,28)
InChIKeyHGAGVMQTJLIDGP-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.78
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 51261970) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID51261970
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCCCn1c(N)c(N(C)C(=O)Cc2coc(-c3ccccc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C20H23N5O4/c1-3-4-10-25-17(21)16(18(27)23-20(25)28)24(2)15(26)11-14-12-29-19(22-14)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11,21H2,1-2H3,(H,23,27,28)
InChIKeyHGAGVMQTJLIDGP-UHFFFAOYSA-N
XLogP1.78
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34806420
6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione
CID 34653842
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenyl)-N-methylacetamide
CID 8918069
(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449200
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide
CID 55339130
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55555426
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 17411815
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 55339295
6-amino-1-butyl-5-[ethyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]pyrimidine-2,4-dione
CID 78834984
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylfuran-2-carboxamide
CID 18084185
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 55448114
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide
CID 55339235

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 51261970) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is CCCCn1c(N)c(N(C)C(=O)Cc2coc(-c3ccccc3)n2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is HGAGVMQTJLIDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-3-4-10-25-17(21)16(18(27)23-20(25)28)24(2)15(26)11-14-12-29-19(22-14)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11,21H2,1-2H3,(H,23,27,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 397.44 g/mol, XLogP of 1.78, 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-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 51261970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).