4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole

C13H16N2O2 — CID 114765024

IUPAC4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
SMILESCOc1cccc2oc(CC3CCCN3)nc12
InChIInChI=1S/C13H16N2O2/c1-16-10-5-2-6-11-13(10)15-12(17-11)8-9-4-3-7-14-9/h2,5-6,9,14H,3-4,7-8H2,1H3
InChIKeyQARQDESFZOGBHI-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.13
Rot. Bonds3

About 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole

4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole (PubChem CID 114765024) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
PubChem CID114765024
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
SMILESCOc1cccc2oc(CC3CCCN3)nc12
InChIInChI=1S/C13H16N2O2/c1-16-10-5-2-6-11-13(10)15-12(17-11)8-9-4-3-7-14-9/h2,5-6,9,14H,3-4,7-8H2,1H3
InChIKeyQARQDESFZOGBHI-UHFFFAOYSA-N
XLogP2.13
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 117368074
4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
CID 114764927
2-(chloromethyl)-4-methoxy-1,3-benzoxazole
CID 11820045
4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84637903
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060
5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372317
N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 114764916
4-(4-methoxy-1,3-benzoxazol-2-yl)butan-1-amine
CID 114764864
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole
CID 114764905

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole (CID 114765024) is 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole is COc1cccc2oc(CC3CCCN3)nc12.
What is the InChIKey of 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole?
The InChIKey is QARQDESFZOGBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-10-5-2-6-11-13(10)15-12(17-11)8-9-4-3-7-14-9/h2,5-6,9,14H,3-4,7-8H2,1H3.
What are the key properties of 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole?
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole has a molecular weight of 232.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 114765024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).