N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine

C22H18N6O — CID 44968264

IUPACN-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine
SMILESCc1nc(-c2ccccc2)oc1-c1ccc2ncnc(NCc3ncc[nH]3)c2c1
InChIInChI=1S/C22H18N6O/c1-14-20(29-22(28-14)15-5-3-2-4-6-15)16-7-8-18-17(11-16)21(27-13-26-18)25-12-19-23-9-10-24-19/h2-11,13H,12H2,1H3,(H,23,24)(H,25,26,27)
InChIKeySSONSSSFMAFGAP-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.60
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine

N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine (PubChem CID 44968264) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine
PubChem CID44968264
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine
SMILESCc1nc(-c2ccccc2)oc1-c1ccc2ncnc(NCc3ncc[nH]3)c2c1
InChIInChI=1S/C22H18N6O/c1-14-20(29-22(28-14)15-5-3-2-4-6-15)16-7-8-18-17(11-16)21(27-13-26-18)25-12-19-23-9-10-24-19/h2-11,13H,12H2,1H3,(H,23,24)(H,25,26,27)
InChIKeySSONSSSFMAFGAP-UHFFFAOYSA-N
XLogP4.60
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine (CID 44968264) is N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine is Cc1nc(-c2ccccc2)oc1-c1ccc2ncnc(NCc3ncc[nH]3)c2c1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine?
The InChIKey is SSONSSSFMAFGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-14-20(29-22(28-14)15-5-3-2-4-6-15)16-7-8-18-17(11-16)21(27-13-26-18)25-12-19-23-9-10-24-19/h2-11,13H,12H2,1H3,(H,23,24)(H,25,26,27).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine?
N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine has a molecular weight of 382.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 44968264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).