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

C18H21N5O — CID 3233101

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylquinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc2ncnc(NC3CCNCC3)c2c1
InChIInChI=1S/C18H21N5O/c1-11-17(12(2)24-23-11)13-3-4-16-15(9-13)18(21-10-20-16)22-14-5-7-19-8-6-14/h3-4,9-10,14,19H,5-8H2,1-2H3,(H,20,21,22)
InChIKeyMDYSDJUCIHVMDB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.07
Rot. Bonds3

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylquinazolin-4-amine (PubChem CID 3233101) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylquinazolin-4-amine
PubChem CID3233101
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylquinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc2ncnc(NC3CCNCC3)c2c1
InChIInChI=1S/C18H21N5O/c1-11-17(12(2)24-23-11)13-3-4-16-15(9-13)18(21-10-20-16)22-14-5-7-19-8-6-14/h3-4,9-10,14,19H,5-8H2,1-2H3,(H,20,21,22)
InChIKeyMDYSDJUCIHVMDB-UHFFFAOYSA-N
XLogP3.07
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
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-piperidin-4-ylquinazolin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylquinazolin-4-amine (CID 3233101) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylquinazolin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylquinazolin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylquinazolin-4-amine is Cc1noc(C)c1-c1ccc2ncnc(NC3CCNCC3)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylquinazolin-4-amine?
The InChIKey is MDYSDJUCIHVMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-17(12(2)24-23-11)13-3-4-16-15(9-13)18(21-10-20-16)22-14-5-7-19-8-6-14/h3-4,9-10,14,19H,5-8H2,1-2H3,(H,20,21,22).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylquinazolin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylquinazolin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 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-piperidin-4-ylquinazolin-4-amine is sourced from PubChem (CID 3233101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).