4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine

C27H26N6O2 — CID 175773794

IUPAC4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine
SMILESCc1noc(C)c1-c1cccc2nc(-c3cnn(C)c3)nc(N3CCOCC3c3ccccc3)c12
InChIInChI=1S/C27H26N6O2/c1-17-24(18(2)35-31-17)21-10-7-11-22-25(21)27(30-26(29-22)20-14-28-32(3)15-20)33-12-13-34-16-23(33)19-8-5-4-6-9-19/h4-11,14-15,23H,12-13,16H2,1-3H3
InChIKeyZQCZZFICHRRJNQ-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.88
Rot. Bonds4

About 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine

4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine (PubChem CID 175773794) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine.

Molecular Properties

Compound Name4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine
PubChem CID175773794
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine
SMILESCc1noc(C)c1-c1cccc2nc(-c3cnn(C)c3)nc(N3CCOCC3c3ccccc3)c12
InChIInChI=1S/C27H26N6O2/c1-17-24(18(2)35-31-17)21-10-7-11-22-25(21)27(30-26(29-22)20-14-28-32(3)15-20)33-12-13-34-16-23(33)19-8-5-4-6-9-19/h4-11,14-15,23H,12-13,16H2,1-3H3
InChIKeyZQCZZFICHRRJNQ-UHFFFAOYSA-N
XLogP4.88
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine?
The IUPAC name of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine (CID 175773794) is 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine.
What is the SMILES notation for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine?
The canonical SMILES for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine is Cc1noc(C)c1-c1cccc2nc(-c3cnn(C)c3)nc(N3CCOCC3c3ccccc3)c12.
What is the InChIKey of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine?
The InChIKey is ZQCZZFICHRRJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-17-24(18(2)35-31-17)21-10-7-11-22-25(21)27(30-26(29-22)20-14-28-32(3)15-20)33-12-13-34-16-23(33)19-8-5-4-6-9-19/h4-11,14-15,23H,12-13,16H2,1-3H3.
What are the key properties of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine?
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine has a molecular weight of 466.55 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine is sourced from PubChem (CID 175773794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).