4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole

C15H20N2O2 — CID 106978073

IUPAC4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole
SMILESCCCC1(c2nc3c(OC)cccc3o2)CCCN1
InChIInChI=1S/C15H20N2O2/c1-3-8-15(9-5-10-16-15)14-17-13-11(18-2)6-4-7-12(13)19-14/h4,6-7,16H,3,5,8-10H2,1-2H3
InChIKeyCGMRDYLKFIKTNB-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.22
Rot. Bonds4

About 4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole

4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole (PubChem CID 106978073) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole
PubChem CID106978073
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole
SMILESCCCC1(c2nc3c(OC)cccc3o2)CCCN1
InChIInChI=1S/C15H20N2O2/c1-3-8-15(9-5-10-16-15)14-17-13-11(18-2)6-4-7-12(13)19-14/h4,6-7,16H,3,5,8-10H2,1-2H3
InChIKeyCGMRDYLKFIKTNB-UHFFFAOYSA-N
XLogP3.22
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole?
The IUPAC name of 4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole (CID 106978073) is 4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole?
The canonical SMILES for 4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole is CCCC1(c2nc3c(OC)cccc3o2)CCCN1.
What is the InChIKey of 4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole?
The InChIKey is CGMRDYLKFIKTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-8-15(9-5-10-16-15)14-17-13-11(18-2)6-4-7-12(13)19-14/h4,6-7,16H,3,5,8-10H2,1-2H3.
What are the key properties of 4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole?
4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole has a molecular weight of 260.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 106978073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).