7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine

C28H23FN6O3 — CID 68643353

IUPAC7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine
SMILESCOc1ccc(C2=Nc3nc(-c4cc(-c5ccon5)n(Cc5ccccc5F)n4)ncc3C(C)(C)O2)cc1
InChIInChI=1S/C28H23FN6O3/c1-28(2)20-15-30-26(31-25(20)32-27(38-28)17-8-10-19(36-3)11-9-17)23-14-24(22-12-13-37-34-22)35(33-23)16-18-6-4-5-7-21(18)29/h4-15H,16H2,1-3H3
InChIKeyFCOIXIHYVPQWTQ-UHFFFAOYSA-N
MW510.53 g/mol
LogP5.53
Rot. Bonds6

About 7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine

7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine (PubChem CID 68643353) has the molecular formula C28H23FN6O3 and a molecular weight of 510.53 g/mol. Its IUPAC name is 7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine.

Molecular Properties

Compound Name7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine
PubChem CID68643353
Molecular FormulaC28H23FN6O3
Molecular Weight510.53 g/mol
Exact Mass510.18
IUPAC Name7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine
SMILESCOc1ccc(C2=Nc3nc(-c4cc(-c5ccon5)n(Cc5ccccc5F)n4)ncc3C(C)(C)O2)cc1
InChIInChI=1S/C28H23FN6O3/c1-28(2)20-15-30-26(31-25(20)32-27(38-28)17-8-10-19(36-3)11-9-17)23-14-24(22-12-13-37-34-22)35(33-23)16-18-6-4-5-7-21(18)29/h4-15H,16H2,1-3H3
InChIKeyFCOIXIHYVPQWTQ-UHFFFAOYSA-N
XLogP5.53
TPSA100.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine 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 7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine?
The IUPAC name of 7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine (CID 68643353) is 7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine.
What is the SMILES notation for 7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine?
The canonical SMILES for 7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine is COc1ccc(C2=Nc3nc(-c4cc(-c5ccon5)n(Cc5ccccc5F)n4)ncc3C(C)(C)O2)cc1.
What is the InChIKey of 7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine?
The InChIKey is FCOIXIHYVPQWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O3/c1-28(2)20-15-30-26(31-25(20)32-27(38-28)17-8-10-19(36-3)11-9-17)23-14-24(22-12-13-37-34-22)35(33-23)16-18-6-4-5-7-21(18)29/h4-15H,16H2,1-3H3.
What are the key properties of 7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine?
7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine has a molecular weight of 510.53 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine is sourced from PubChem (CID 68643353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).