4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole

C18H21N5O — CID 86891071

IUPAC4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCN(c3ncnc4ccccc34)CC2)oc1C
InChIInChI=1S/C18H21N5O/c1-13-14(2)24-17(21-13)11-22-7-9-23(10-8-22)18-15-5-3-4-6-16(15)19-12-20-18/h3-6,12H,7-11H2,1-2H3
InChIKeyVBJFGWVBRITOKT-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.56
Rot. Bonds3

About 4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole

4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 86891071) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID86891071
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCN(c3ncnc4ccccc34)CC2)oc1C
InChIInChI=1S/C18H21N5O/c1-13-14(2)24-17(21-13)11-22-7-9-23(10-8-22)18-15-5-3-4-6-16(15)19-12-20-18/h3-6,12H,7-11H2,1-2H3
InChIKeyVBJFGWVBRITOKT-UHFFFAOYSA-N
XLogP2.56
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 86891071) is 4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole is Cc1nc(CN2CCN(c3ncnc4ccccc34)CC2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is VBJFGWVBRITOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-14(2)24-17(21-13)11-22-7-9-23(10-8-22)18-15-5-3-4-6-16(15)19-12-20-18/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole?
4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 323.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 86891071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).