2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C25H18N6O4 — CID 166114504

IUPAC2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(CC(c2ccccc2C#N)c2ccccc2C#N)nc(C(=O)Nc2cnoc2)c(O)c1=O
InChIInChI=1S/C25H18N6O4/c1-31-21(30-22(23(32)25(31)34)24(33)29-17-13-28-35-14-17)10-20(18-8-4-2-6-15(18)11-26)19-9-5-3-7-16(19)12-27/h2-9,13-14,20,32H,10H2,1H3,(H,29,33)
InChIKeyYEAQEZLWDJLWHQ-UHFFFAOYSA-N
MW466.46 g/mol
LogP2.84
Rot. Bonds6

About 2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166114504) has the molecular formula C25H18N6O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is 2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID166114504
Molecular FormulaC25H18N6O4
Molecular Weight466.46 g/mol
Exact Mass466.14
IUPAC Name2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(CC(c2ccccc2C#N)c2ccccc2C#N)nc(C(=O)Nc2cnoc2)c(O)c1=O
InChIInChI=1S/C25H18N6O4/c1-31-21(30-22(23(32)25(31)34)24(33)29-17-13-28-35-14-17)10-20(18-8-4-2-6-15(18)11-26)19-9-5-3-7-16(19)12-27/h2-9,13-14,20,32H,10H2,1H3,(H,29,33)
InChIKeyYEAQEZLWDJLWHQ-UHFFFAOYSA-N
XLogP2.84
TPSA157.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166114504) is 2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cn1c(CC(c2ccccc2C#N)c2ccccc2C#N)nc(C(=O)Nc2cnoc2)c(O)c1=O.
What is the InChIKey of 2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is YEAQEZLWDJLWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O4/c1-31-21(30-22(23(32)25(31)34)24(33)29-17-13-28-35-14-17)10-20(18-8-4-2-6-15(18)11-26)19-9-5-3-7-16(19)12-27/h2-9,13-14,20,32H,10H2,1H3,(H,29,33).
What are the key properties of 2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 466.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(2-cyanophenyl)ethyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 166114504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).