2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol

C25H23ClN6O2 — CID 129166122

IUPAC2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol
SMILESCc1noc(C)c1-c1ccc2nc(-c3cnn(CCO)c3)nc(NCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C25H23ClN6O2/c1-15-23(16(2)34-31-15)18-6-7-22-21(11-18)25(27-12-17-4-3-5-20(26)10-17)30-24(29-22)19-13-28-32(14-19)8-9-33/h3-7,10-11,13-14,33H,8-9,12H2,1-2H3,(H,27,29,30)
InChIKeyQOWPIWMOCRZTCC-UHFFFAOYSA-N
MW474.95 g/mol
LogP5.02
Rot. Bonds7

About 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol

2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol (PubChem CID 129166122) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol
PubChem CID129166122
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC Name2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol
SMILESCc1noc(C)c1-c1ccc2nc(-c3cnn(CCO)c3)nc(NCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C25H23ClN6O2/c1-15-23(16(2)34-31-15)18-6-7-22-21(11-18)25(27-12-17-4-3-5-20(26)10-17)30-24(29-22)19-13-28-32(14-19)8-9-33/h3-7,10-11,13-14,33H,8-9,12H2,1-2H3,(H,27,29,30)
InChIKeyQOWPIWMOCRZTCC-UHFFFAOYSA-N
XLogP5.02
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.95
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 129166067
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 129165687
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2S)-2-phenylpiperazin-1-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 129165694
N-[(3-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3-methyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165698
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2S)-4-methylsulfonyl-2-phenylpiperazin-1-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 129165727
4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine
CID 129165729
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-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide
CID 129165774
1-[(3S)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-4-yl]-3-phenylpiperazin-1-yl]ethanone
CID 129165784
2-[4-[4-[(3-Chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol
CID 129165794
N-[(5-chloro-3-pyridinyl)methyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165795
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-1-ol
CID 129165853

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol (CID 129166122) is 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol is Cc1noc(C)c1-c1ccc2nc(-c3cnn(CCO)c3)nc(NCc3cccc(Cl)c3)c2c1.
What is the InChIKey of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol?
The InChIKey is QOWPIWMOCRZTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c1-15-23(16(2)34-31-15)18-6-7-22-21(11-18)25(27-12-17-4-3-5-20(26)10-17)30-24(29-22)19-13-28-32(14-19)8-9-33/h3-7,10-11,13-14,33H,8-9,12H2,1-2H3,(H,27,29,30).
What are the key properties of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol?
2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol has a molecular weight of 474.95 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 129166122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).