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

C22H23N5O — CID 53053268

IUPACN-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccc(-c2noc3c(NCc4ccc(N(C)C)cc4)nc(C)nc23)cc1
InChIInChI=1S/C22H23N5O/c1-14-5-9-17(10-6-14)19-20-21(28-26-19)22(25-15(2)24-20)23-13-16-7-11-18(12-8-16)27(3)4/h5-12H,13H2,1-4H3,(H,23,24,25)
InChIKeyZXCWNPZNKYJEER-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.58
Rot. Bonds5

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

N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 53053268) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID53053268
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccc(-c2noc3c(NCc4ccc(N(C)C)cc4)nc(C)nc23)cc1
InChIInChI=1S/C22H23N5O/c1-14-5-9-17(10-6-14)19-20-21(28-26-19)22(25-15(2)24-20)23-13-16-7-11-18(12-8-16)27(3)4/h5-12H,13H2,1-4H3,(H,23,24,25)
InChIKeyZXCWNPZNKYJEER-UHFFFAOYSA-N
XLogP4.58
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53004098
5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053276
N-[(4-chlorophenyl)methyl]-5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053235
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53004087
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53043714
N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 50769325
5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053291
N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
CID 35572888
N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53032717
methyl 5-[[4-(dimethylamino)phenyl]methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 46358776
[5-[[4-(dimethylamino)phenyl]methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone
CID 5126555
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 37216672

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 53053268) is N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is Cc1ccc(-c2noc3c(NCc4ccc(N(C)C)cc4)nc(C)nc23)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ZXCWNPZNKYJEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-5-9-17(10-6-14)19-20-21(28-26-19)22(25-15(2)24-20)23-13-16-7-11-18(12-8-16)27(3)4/h5-12H,13H2,1-4H3,(H,23,24,25).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 373.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 53053268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).