3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole

C17H19N5O — CID 3233975

IUPAC3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(N2CCNCC2)c2ccccc2n1
InChIInChI=1S/C17H19N5O/c1-11-15(12(2)23-21-11)16-19-14-6-4-3-5-13(14)17(20-16)22-9-7-18-8-10-22/h3-6,18H,7-10H2,1-2H3
InChIKeyUIDLKYJNVBZCHJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.31
Rot. Bonds2

About 3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole

3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole (PubChem CID 3233975) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole
PubChem CID3233975
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(N2CCNCC2)c2ccccc2n1
InChIInChI=1S/C17H19N5O/c1-11-15(12(2)23-21-11)16-19-14-6-4-3-5-13(14)17(20-16)22-9-7-18-8-10-22/h3-6,18H,7-10H2,1-2H3
InChIKeyUIDLKYJNVBZCHJ-UHFFFAOYSA-N
XLogP2.31
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide
CID 17757086
2-(3,5-dimethylisoxazol-4-yl)-N-(3-ethylphenyl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 25110840
2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204902
N-[1-(3-chlorophenyl)ethyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165750
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 129165758
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]quinazolin-4-amine
CID 129165803
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 129165841
N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 129165993
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylazetidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 129166228
N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
CID 146188223
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
CID 3233045
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
CID 3233783

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole (CID 3233975) is 3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole is Cc1noc(C)c1-c1nc(N2CCNCC2)c2ccccc2n1.
What is the InChIKey of 3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole?
The InChIKey is UIDLKYJNVBZCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-15(12(2)23-21-11)16-19-14-6-4-3-5-13(14)17(20-16)22-9-7-18-8-10-22/h3-6,18H,7-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole?
3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole has a molecular weight of 309.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole is sourced from PubChem (CID 3233975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).