3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole

C14H13N3O2 — CID 2387227

IUPAC3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole
SMILESCc1noc(C)c1COc1ncnc2ccccc12
InChIInChI=1S/C14H13N3O2/c1-9-12(10(2)19-17-9)7-18-14-11-5-3-4-6-13(11)15-8-16-14/h3-6,8H,7H2,1-2H3
InChIKeyBVEMOKRHICCACQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.81
Rot. Bonds3

About 3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole

3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole (PubChem CID 2387227) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole
PubChem CID2387227
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole
SMILESCc1noc(C)c1COc1ncnc2ccccc12
InChIInChI=1S/C14H13N3O2/c1-9-12(10(2)19-17-9)7-18-14-11-5-3-4-6-13(11)15-8-16-14/h3-6,8H,7H2,1-2H3
InChIKeyBVEMOKRHICCACQ-UHFFFAOYSA-N
XLogP2.81
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole (CID 2387227) is 3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole is Cc1noc(C)c1COc1ncnc2ccccc12.
What is the InChIKey of 3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole?
The InChIKey is BVEMOKRHICCACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-12(10(2)19-17-9)7-18-14-11-5-3-4-6-13(11)15-8-16-14/h3-6,8H,7H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole?
3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole has a molecular weight of 255.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 2387227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).