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

C28H28N6O3 — CID 129166071

IUPAC2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol
SMILESCc1noc(C)c1-c1ccc2nc(-c3cnn(CCO)c3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1
InChIInChI=1S/C28H28N6O3/c1-18-26(19(2)37-32-18)21-8-9-24-23(14-21)28(31-27(30-24)22-15-29-33(16-22)10-12-35)34-11-13-36-17-25(34)20-6-4-3-5-7-20/h3-9,14-16,25,35H,10-13,17H2,1-2H3/t25-/m1/s1
InChIKeyXGGMHAKFCUIDSF-RUZDIDTESA-N
MW496.57 g/mol
LogP4.34
Rot. Bonds6

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

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol (PubChem CID 129166071) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol
PubChem CID129166071
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Name2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol
SMILESCc1noc(C)c1-c1ccc2nc(-c3cnn(CCO)c3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1
InChIInChI=1S/C28H28N6O3/c1-18-26(19(2)37-32-18)21-8-9-24-23(14-21)28(31-27(30-24)22-15-29-33(16-22)10-12-35)34-11-13-36-17-25(34)20-6-4-3-5-7-20/h3-9,14-16,25,35H,10-13,17H2,1-2H3/t25-/m1/s1
InChIKeyXGGMHAKFCUIDSF-RUZDIDTESA-N
XLogP4.34
TPSA102.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol (CID 129166071) is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol is Cc1noc(C)c1-c1ccc2nc(-c3cnn(CCO)c3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1.
What is the InChIKey of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol?
The InChIKey is XGGMHAKFCUIDSF-RUZDIDTESA-N. The full InChI is InChI=1S/C28H28N6O3/c1-18-26(19(2)37-32-18)21-8-9-24-23(14-21)28(31-27(30-24)22-15-29-33(16-22)10-12-35)34-11-13-36-17-25(34)20-6-4-3-5-7-20/h3-9,14-16,25,35H,10-13,17H2,1-2H3/t25-/m1/s1.
What are the key properties of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol?
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol has a molecular weight of 496.57 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 129166071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).