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

C18H21N5O — CID 3233389

IUPAC3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(N2CCN(C)CC2)c2ccccc2n1
InChIInChI=1S/C18H21N5O/c1-12-16(13(2)24-21-12)17-19-15-7-5-4-6-14(15)18(20-17)23-10-8-22(3)9-11-23/h4-7H,8-11H2,1-3H3
InChIKeyIVLIRMALWOWNQY-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.65
Rot. Bonds2

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

3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole (PubChem CID 3233389) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole
PubChem CID3233389
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(N2CCN(C)CC2)c2ccccc2n1
InChIInChI=1S/C18H21N5O/c1-12-16(13(2)24-21-12)17-19-15-7-5-4-6-14(15)18(20-17)23-10-8-22(3)9-11-23/h4-7H,8-11H2,1-3H3
InChIKeyIVLIRMALWOWNQY-UHFFFAOYSA-N
XLogP2.65
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole (CID 3233389) is 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole is Cc1noc(C)c1-c1nc(N2CCN(C)CC2)c2ccccc2n1.
What is the InChIKey of 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole?
The InChIKey is IVLIRMALWOWNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-16(13(2)24-21-12)17-19-15-7-5-4-6-14(15)18(20-17)23-10-8-22(3)9-11-23/h4-7H,8-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole has a molecular weight of 323.40 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]-1,2-oxazole is sourced from PubChem (CID 3233389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).