1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C27H32N6O3 — CID 162654052

IUPAC1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3C3CC3)c2c1
InChIInChI=1S/C27H32N6O3/c1-16-24(17(2)36-31-16)19-7-8-22-21(11-19)26(33-9-10-35-14-23(33)18-5-6-18)30-25(29-22)20-12-28-32(13-20)15-27(3,4)34/h7-8,11-13,18,23,34H,5-6,9-10,14-15H2,1-4H3/t23-/m1/s1
InChIKeyYLIWDAUREAVAST-HSZRJFAPSA-N
MW488.59 g/mol
LogP4.15
Rot. Bonds6

About 1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 162654052) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID162654052
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3C3CC3)c2c1
InChIInChI=1S/C27H32N6O3/c1-16-24(17(2)36-31-16)19-7-8-22-21(11-19)26(33-9-10-35-14-23(33)18-5-6-18)30-25(29-22)20-12-28-32(13-20)15-27(3,4)34/h7-8,11-13,18,23,34H,5-6,9-10,14-15H2,1-4H3/t23-/m1/s1
InChIKeyYLIWDAUREAVAST-HSZRJFAPSA-N
XLogP4.15
TPSA102.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 162654052) is 1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol is Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3C3CC3)c2c1.
What is the InChIKey of 1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is YLIWDAUREAVAST-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-16-24(17(2)36-31-16)19-7-8-22-21(11-19)26(33-9-10-35-14-23(33)18-5-6-18)30-25(29-22)20-12-28-32(13-20)15-27(3,4)34/h7-8,11-13,18,23,34H,5-6,9-10,14-15H2,1-4H3/t23-/m1/s1.
What are the key properties of 1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 488.59 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 162654052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).