6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine

C19H16N4O — CID 3234707

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc2ncnc(Nc3ccccc3)c2c1
InChIInChI=1S/C19H16N4O/c1-12-18(13(2)24-23-12)14-8-9-17-16(10-14)19(21-11-20-17)22-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,21,22)
InChIKeyNNUPKVVHXZMMGM-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.65
Rot. Bonds3

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine (PubChem CID 3234707) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine
PubChem CID3234707
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc2ncnc(Nc3ccccc3)c2c1
InChIInChI=1S/C19H16N4O/c1-12-18(13(2)24-23-12)14-8-9-17-16(10-14)19(21-11-20-17)22-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,21,22)
InChIKeyNNUPKVVHXZMMGM-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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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine (CID 3234707) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine is Cc1noc(C)c1-c1ccc2ncnc(Nc3ccccc3)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine?
The InChIKey is NNUPKVVHXZMMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-18(13(2)24-23-12)14-8-9-17-16(10-14)19(21-11-20-17)22-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,21,22).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-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 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 3234707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).