4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole

C15H18N2O — CID 168514490

IUPAC4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole
SMILESCc1nc(-c2ccccc2N2CCCC2)oc1C
InChIInChI=1S/C15H18N2O/c1-11-12(2)18-15(16-11)13-7-3-4-8-14(13)17-9-5-6-10-17/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyMQVPUMRVJRFNGV-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.56
Rot. Bonds2

About 4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole

4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole (PubChem CID 168514490) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole
PubChem CID168514490
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole
SMILESCc1nc(-c2ccccc2N2CCCC2)oc1C
InChIInChI=1S/C15H18N2O/c1-11-12(2)18-15(16-11)13-7-3-4-8-14(13)17-9-5-6-10-17/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyMQVPUMRVJRFNGV-UHFFFAOYSA-N
XLogP3.56
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole (CID 168514490) is 4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole is Cc1nc(-c2ccccc2N2CCCC2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole?
The InChIKey is MQVPUMRVJRFNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-12(2)18-15(16-11)13-7-3-4-8-14(13)17-9-5-6-10-17/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole?
4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole has a molecular weight of 242.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 168514490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).