N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C23H29N5O5 — CID 24687483

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H29N5O5/c1-5-7-12-27-20(24)19(21(29)25-23(27)31)28(13-15-10-8-9-11-17(15)32-4)22(30)18-14(3)33-26-16(18)6-2/h8-11H,5-7,12-13,24H2,1-4H3,(H,25,29,31)
InChIKeyNAAAIMATSJZEIA-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.63
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 24687483) has the molecular formula C23H29N5O5 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID24687483
Molecular FormulaC23H29N5O5
Molecular Weight455.52 g/mol
Exact Mass455.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H29N5O5/c1-5-7-12-27-20(24)19(21(29)25-23(27)31)28(13-15-10-8-9-11-17(15)32-4)22(30)18-14(3)33-26-16(18)6-2/h8-11H,5-7,12-13,24H2,1-4H3,(H,25,29,31)
InChIKeyNAAAIMATSJZEIA-UHFFFAOYSA-N
XLogP2.63
TPSA136.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4783580
N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide
CID 135982362
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
CID 2541431
N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4788334
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 24687409
1-(2-methoxybenzyl)-N-[(5-methyl-3-isoxazolyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24790105
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 24982237
3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24983107
3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 25163106
N-[(2S)-1-[[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 155539344
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 25163236
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone
CID 16671323

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 24687483) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NAAAIMATSJZEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5/c1-5-7-12-27-20(24)19(21(29)25-23(27)31)28(13-15-10-8-9-11-17(15)32-4)22(30)18-14(3)33-26-16(18)6-2/h8-11H,5-7,12-13,24H2,1-4H3,(H,25,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 2.63, 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)-3-ethyl-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24687483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).