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

C24H25N5O5 — CID 34806420

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCCCn1c(N)c(N(Cc2ccco2)C(=O)Cc2coc(-c3ccccc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C24H25N5O5/c1-2-3-11-28-21(25)20(22(31)27-24(28)32)29(14-18-10-7-12-33-18)19(30)13-17-15-34-23(26-17)16-8-5-4-6-9-16/h4-10,12,15H,2-3,11,13-14,25H2,1H3,(H,27,31,32)
InChIKeyKVYBWVYKQCVWEC-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.94
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 34806420) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID34806420
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCCCn1c(N)c(N(Cc2ccco2)C(=O)Cc2coc(-c3ccccc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C24H25N5O5/c1-2-3-11-28-21(25)20(22(31)27-24(28)32)29(14-18-10-7-12-33-18)19(30)13-17-15-34-23(26-17)16-8-5-4-6-9-16/h4-10,12,15H,2-3,11,13-14,25H2,1H3,(H,27,31,32)
InChIKeyKVYBWVYKQCVWEC-UHFFFAOYSA-N
XLogP2.94
TPSA140.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261970
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)acetamide
CID 30846728
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 26195847
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide
CID 30842008
N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide
CID 39768831
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-phenylsulfanylbutanamide
CID 26195819
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 26195962
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-phenoxybenzamide
CID 26195852
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 26195712
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 17403772
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 8917753
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 38908007

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of 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) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is CCCCn1c(N)c(N(Cc2ccco2)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-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is KVYBWVYKQCVWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-2-3-11-28-21(25)20(22(31)27-24(28)32)29(14-18-10-7-12-33-18)19(30)13-17-15-34-23(26-17)16-8-5-4-6-9-16/h4-10,12,15H,2-3,11,13-14,25H2,1H3,(H,27,31,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 463.49 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 34806420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).