3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole

C16H16FN5O — CID 71995970

IUPAC3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESFc1ccc2ncnc(N3CCN(Cc4ccon4)CC3)c2c1
InChIInChI=1S/C16H16FN5O/c17-12-1-2-15-14(9-12)16(19-11-18-15)22-6-4-21(5-7-22)10-13-3-8-23-20-13/h1-3,8-9,11H,4-7,10H2
InChIKeyBQXYUFWDGIAVOA-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.08
Rot. Bonds3

About 3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole

3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 71995970) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID71995970
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESFc1ccc2ncnc(N3CCN(Cc4ccon4)CC3)c2c1
InChIInChI=1S/C16H16FN5O/c17-12-1-2-15-14(9-12)16(19-11-18-15)22-6-4-21(5-7-22)10-13-3-8-23-20-13/h1-3,8-9,11H,4-7,10H2
InChIKeyBQXYUFWDGIAVOA-UHFFFAOYSA-N
XLogP2.08
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-fluoroquinazoline
CID 24742053
6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
CID 166605531
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 133324990
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline
CID 78901448
7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline
CID 171334705
4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline
CID 166601671
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 171327392
6-fluoro-3-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-1,2-benzoxazole
CID 171998313
5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126896177
4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline
CID 1191450

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 71995970) is 3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole is Fc1ccc2ncnc(N3CCN(Cc4ccon4)CC3)c2c1.
What is the InChIKey of 3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is BQXYUFWDGIAVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c17-12-1-2-15-14(9-12)16(19-11-18-15)22-6-4-21(5-7-22)10-13-3-8-23-20-13/h1-3,8-9,11H,4-7,10H2.
What are the key properties of 3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 313.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 71995970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).