N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine

C20H17N5O — CID 162664178

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESCc1noc(C)c1-c1cccc(Nc2nccc(-c3ccncc3)n2)c1
InChIInChI=1S/C20H17N5O/c1-13-19(14(2)26-25-13)16-4-3-5-17(12-16)23-20-22-11-8-18(24-20)15-6-9-21-10-7-15/h3-12H,1-2H3,(H,22,23,24)
InChIKeyQNNHQXMJJAMHAW-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.55
Rot. Bonds4

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 162664178) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID162664178
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESCc1noc(C)c1-c1cccc(Nc2nccc(-c3ccncc3)n2)c1
InChIInChI=1S/C20H17N5O/c1-13-19(14(2)26-25-13)16-4-3-5-17(12-16)23-20-22-11-8-18(24-20)15-6-9-21-10-7-15/h3-12H,1-2H3,(H,22,23,24)
InChIKeyQNNHQXMJJAMHAW-UHFFFAOYSA-N
XLogP4.55
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine (CID 162664178) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine is Cc1noc(C)c1-c1cccc(Nc2nccc(-c3ccncc3)n2)c1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is QNNHQXMJJAMHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-19(14(2)26-25-13)16-4-3-5-17(12-16)23-20-22-11-8-18(24-20)15-6-9-21-10-7-15/h3-12H,1-2H3,(H,22,23,24).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 162664178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).