1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone

C22H23N7O2 — CID 158657776

IUPAC1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
SMILESCN1CCN(c2ncc(C(=O)Cc3ncc4ccc(-c5cnn(C)c5)cc4n3)o2)CC1
InChIInChI=1S/C22H23N7O2/c1-27-5-7-29(8-6-27)22-24-13-20(31-22)19(30)10-21-23-11-16-4-3-15(9-18(16)26-21)17-12-25-28(2)14-17/h3-4,9,11-14H,5-8,10H2,1-2H3
InChIKeyICIZPQWRFMTLDA-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.20
Rot. Bonds5

About 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone

1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone (PubChem CID 158657776) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
PubChem CID158657776
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
SMILESCN1CCN(c2ncc(C(=O)Cc3ncc4ccc(-c5cnn(C)c5)cc4n3)o2)CC1
InChIInChI=1S/C22H23N7O2/c1-27-5-7-29(8-6-27)22-24-13-20(31-22)19(30)10-21-23-11-16-4-3-15(9-18(16)26-21)17-12-25-28(2)14-17/h3-4,9,11-14H,5-8,10H2,1-2H3
InChIKeyICIZPQWRFMTLDA-UHFFFAOYSA-N
XLogP2.20
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 146617128
2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide
CID 138588454
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 159053246
1-[1-[1-(2-Fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 159551144
2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide
CID 68167971
[4-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 70217142
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 138585715
2-piperidin-4-yl-N-[7-[1-(trideuteriomethyl)pyrazol-4-yl]quinazolin-2-yl]-1,3-oxazole-4-carboxamide
CID 138586860
2-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1,3-oxazole-5-carboxamide
CID 138586933
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide
CID 138587138
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138587501
2-(4-methylpiperazin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-5-carboxamide
CID 138588000

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone (CID 158657776) is 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone is CN1CCN(c2ncc(C(=O)Cc3ncc4ccc(-c5cnn(C)c5)cc4n3)o2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone?
The InChIKey is ICIZPQWRFMTLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-27-5-7-29(8-6-27)22-24-13-20(31-22)19(30)10-21-23-11-16-4-3-15(9-18(16)26-21)17-12-25-28(2)14-17/h3-4,9,11-14H,5-8,10H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone?
1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone has a molecular weight of 417.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone is sourced from PubChem (CID 158657776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).