6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

C19H17N5O — CID 3235202

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc2ncnc(NCc3cccnc3)c2c1
InChIInChI=1S/C19H17N5O/c1-12-18(13(2)25-24-12)15-5-6-17-16(8-15)19(23-11-22-17)21-10-14-4-3-7-20-9-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyOCAMXWVPNXLVEM-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.91
Rot. Bonds4

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (PubChem CID 3235202) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
PubChem CID3235202
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc2ncnc(NCc3cccnc3)c2c1
InChIInChI=1S/C19H17N5O/c1-12-18(13(2)25-24-12)15-5-6-17-16(8-15)19(23-11-22-17)21-10-14-4-3-7-20-9-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyOCAMXWVPNXLVEM-UHFFFAOYSA-N
XLogP3.91
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (CID 3235202) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is Cc1noc(C)c1-c1ccc2ncnc(NCc3cccnc3)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The InChIKey is OCAMXWVPNXLVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-18(13(2)25-24-12)15-5-6-17-16(8-15)19(23-11-22-17)21-10-14-4-3-7-20-9-14/h3-9,11H,10H2,1-2H3,(H,21,22,23).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3235202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).