5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine

C18H14N4O2 — CID 59203844

IUPAC5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine
SMILESCOc1ccc2nc(-c3cnc(Nc4ccccc4)nc3)oc2c1
InChIInChI=1S/C18H14N4O2/c1-23-14-7-8-15-16(9-14)24-17(22-15)12-10-19-18(20-11-12)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21)
InChIKeyDECLYJIGPYNKTH-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.04
Rot. Bonds4

About 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine

5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine (PubChem CID 59203844) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine
PubChem CID59203844
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine
SMILESCOc1ccc2nc(-c3cnc(Nc4ccccc4)nc3)oc2c1
InChIInChI=1S/C18H14N4O2/c1-23-14-7-8-15-16(9-14)24-17(22-15)12-10-19-18(20-11-12)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21)
InChIKeyDECLYJIGPYNKTH-UHFFFAOYSA-N
XLogP4.04
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine
CID 24780802
5-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 5184898
5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 24780658
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335
6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole
CID 71148352
N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline
CID 170716724
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide
CID 168652805
4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine
CID 70485810
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile
CID 118902982
6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 23025909
methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate
CID 151661661

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine (CID 59203844) is 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine is COc1ccc2nc(-c3cnc(Nc4ccccc4)nc3)oc2c1.
What is the InChIKey of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is DECLYJIGPYNKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-23-14-7-8-15-16(9-14)24-17(22-15)12-10-19-18(20-11-12)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21).
What are the key properties of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine?
5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 318.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 59203844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).