5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine

C21H21N5O2 — CID 50991237

IUPAC5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine
SMILESCN1CCC(Oc2ncnc3ccc(-c4ccc5oc(N)nc5c4)cc23)CC1
InChIInChI=1S/C21H21N5O2/c1-26-8-6-15(7-9-26)27-20-16-10-13(2-4-17(16)23-12-24-20)14-3-5-19-18(11-14)25-21(22)28-19/h2-5,10-12,15H,6-9H2,1H3,(H2,22,25)
InChIKeyWSGNVJMAQOAKGT-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.49
Rot. Bonds3

About 5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine

5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 50991237) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID50991237
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine
SMILESCN1CCC(Oc2ncnc3ccc(-c4ccc5oc(N)nc5c4)cc23)CC1
InChIInChI=1S/C21H21N5O2/c1-26-8-6-15(7-9-26)27-20-16-10-13(2-4-17(16)23-12-24-20)14-3-5-19-18(11-14)25-21(22)28-19/h2-5,10-12,15H,6-9H2,1H3,(H2,22,25)
InChIKeyWSGNVJMAQOAKGT-UHFFFAOYSA-N
XLogP3.49
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine (CID 50991237) is 5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine is CN1CCC(Oc2ncnc3ccc(-c4ccc5oc(N)nc5c4)cc23)CC1.
What is the InChIKey of 5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is WSGNVJMAQOAKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-26-8-6-15(7-9-26)27-20-16-10-13(2-4-17(16)23-12-24-20)14-3-5-19-18(11-14)25-21(22)28-19/h2-5,10-12,15H,6-9H2,1H3,(H2,22,25).
What are the key properties of 5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine?
5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 375.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 50991237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).