N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C24H30FN5O4 — CID 16593375

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCCCN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H30FN5O4/c1-3-5-13-29(21-22(26)30(14-6-4-2)24(33)28-23(21)32)20(31)12-11-19-27-15-18(34-19)16-9-7-8-10-17(16)25/h7-10,15H,3-6,11-14,26H2,1-2H3,(H,28,32,33)
InChIKeyFBLSNVOHVNGBKQ-UHFFFAOYSA-N
MW471.53 g/mol
LogP3.48
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16593375) has the molecular formula C24H30FN5O4 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16593375
Molecular FormulaC24H30FN5O4
Molecular Weight471.53 g/mol
Exact Mass471.23
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCCCN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H30FN5O4/c1-3-5-13-29(21-22(26)30(14-6-4-2)24(33)28-23(21)32)20(31)12-11-19-27-15-18(34-19)16-9-7-8-10-17(16)25/h7-10,15H,3-6,11-14,26H2,1-2H3,(H,28,32,33)
InChIKeyFBLSNVOHVNGBKQ-UHFFFAOYSA-N
XLogP3.48
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 53.48
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-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide
CID 55413717
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 27283033
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxo-3H-quinazolin-2-yl)-N-propylpropanamide
CID 135857713
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenyl)-N-methylacetamide
CID 8918069
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(3,4-difluorophenyl)sulfanylacetamide
CID 27653302
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 16599624
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-methylsulfanylbenzamide
CID 26185536
N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 56535418
benzyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 42987801
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide
CID 26205772

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16593375) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is CCCCN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is FBLSNVOHVNGBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O4/c1-3-5-13-29(21-22(26)30(14-6-4-2)24(33)28-23(21)32)20(31)12-11-19-27-15-18(34-19)16-9-7-8-10-17(16)25/h7-10,15H,3-6,11-14,26H2,1-2H3,(H,28,32,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 471.53 g/mol, XLogP of 3.48, 11 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-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16593375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).