N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

C19H16N4O — CID 53053150

IUPACN-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccc(Nc2ncnc3c(-c4ccccc4)noc23)c(C)c1
InChIInChI=1S/C19H16N4O/c1-12-8-9-15(13(2)10-12)22-19-18-17(20-11-21-19)16(23-24-18)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,21,22)
InChIKeyQQAYFJCOKZFHHY-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.65
Rot. Bonds3

About N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 53053150) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID53053150
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccc(Nc2ncnc3c(-c4ccccc4)noc23)c(C)c1
InChIInChI=1S/C19H16N4O/c1-12-8-9-15(13(2)10-12)22-19-18-17(20-11-21-19)16(23-24-18)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,21,22)
InChIKeyQQAYFJCOKZFHHY-UHFFFAOYSA-N
XLogP4.65
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053181
N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053136
3-phenyl-N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053132
3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 95064102
3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53209732
N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 2806519
7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine
CID 53213185
N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53032717
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286
4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine
CID 19143332
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19143282

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 53053150) is N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is Cc1ccc(Nc2ncnc3c(-c4ccccc4)noc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is QQAYFJCOKZFHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-8-9-15(13(2)10-12)22-19-18-17(20-11-21-19)16(23-24-18)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,21,22).
What are the key properties of N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 316.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 53053150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).