2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C23H19N7O5 — CID 170646037

IUPAC2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(-c2nc3ccc(-c4ncco4)cc3n2C2CCC2)nc(C(=O)Nc2cnoc2)c(O)c1=O
InChIInChI=1S/C23H19N7O5/c1-29-19(28-17(18(31)23(29)33)21(32)26-13-10-25-35-11-13)20-27-15-6-5-12(22-24-7-8-34-22)9-16(15)30(20)14-3-2-4-14/h5-11,14,31H,2-4H2,1H3,(H,26,32)
InChIKeyVBGGVYWDHJIWTB-UHFFFAOYSA-N
MW473.45 g/mol
LogP3.12
Rot. Bonds5

About 2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 170646037) has the molecular formula C23H19N7O5 and a molecular weight of 473.45 g/mol. Its IUPAC name is 2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID170646037
Molecular FormulaC23H19N7O5
Molecular Weight473.45 g/mol
Exact Mass473.14
IUPAC Name2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(-c2nc3ccc(-c4ncco4)cc3n2C2CCC2)nc(C(=O)Nc2cnoc2)c(O)c1=O
InChIInChI=1S/C23H19N7O5/c1-29-19(28-17(18(31)23(29)33)21(32)26-13-10-25-35-11-13)20-27-15-6-5-12(22-24-7-8-34-22)9-16(15)30(20)14-3-2-4-14/h5-11,14,31H,2-4H2,1H3,(H,26,32)
InChIKeyVBGGVYWDHJIWTB-UHFFFAOYSA-N
XLogP3.12
TPSA154.10 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide with MolForge

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Related Compounds

methyl 3-cyclobutyl-2-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxylate
CID 170645975
5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
CID 146664900
5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 146664796
2-[1-cyclobutyl-6-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
CID 170646070
2-[(3S,6S)-1-(3,4-dichlorobenzoyl)-6-methylpiperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 146665717
2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 146665378
5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-2-[1-(1-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 172693364
5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 155590513
2-[(1R,2S)-1-(2-cyanophenyl)-1-(2-methylpyrimidin-5-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944545
2-[(1R,2S)-1-(2-cyano-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944687
2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944321
tert-butyl 3-cyclobutyl-2-(5-ethoxy-4-ethoxycarbonyl-1-methyl-6-oxopyrimidin-2-yl)benzimidazole-5-carboxylate
CID 170646106

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 170646037) is 2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cn1c(-c2nc3ccc(-c4ncco4)cc3n2C2CCC2)nc(C(=O)Nc2cnoc2)c(O)c1=O.
What is the InChIKey of 2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is VBGGVYWDHJIWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O5/c1-29-19(28-17(18(31)23(29)33)21(32)26-13-10-25-35-11-13)20-27-15-6-5-12(22-24-7-8-34-22)9-16(15)30(20)14-3-2-4-14/h5-11,14,31H,2-4H2,1H3,(H,26,32).
What are the key properties of 2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 473.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclobutyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 170646037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).