6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole

C14H16N2O2 — CID 116870823

IUPAC6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole
SMILESc1nc2ccc(C3(C4CCCN4)COC3)cc2o1
InChIInChI=1S/C14H16N2O2/c1-2-13(15-5-1)14(7-17-8-14)10-3-4-11-12(6-10)18-9-16-11/h3-4,6,9,13,15H,1-2,5,7-8H2
InChIKeyWFRFBCSOHMXYCI-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.85
Rot. Bonds2

About 6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole

6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole (PubChem CID 116870823) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole
PubChem CID116870823
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole
SMILESc1nc2ccc(C3(C4CCCN4)COC3)cc2o1
InChIInChI=1S/C14H16N2O2/c1-2-13(15-5-1)14(7-17-8-14)10-3-4-11-12(6-10)18-9-16-11/h3-4,6,9,13,15H,1-2,5,7-8H2
InChIKeyWFRFBCSOHMXYCI-UHFFFAOYSA-N
XLogP1.85
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole
CID 116870937
5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one
CID 116870825
3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide
CID 116876205
1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine
CID 116935433
3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine
CID 116870084
N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine
CID 115209518
3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propanenitrile
CID 116873395
6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole
CID 116877525
N-(1,3-benzoxazol-6-ylmethyl)-2-pyrrolidin-2-ylethanamine
CID 115210326
1,3-benzoxazol-6-amine
CID 584120
N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211281
4-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]butanoic acid
CID 116871995

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole?
The IUPAC name of 6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole (CID 116870823) is 6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole is c1nc2ccc(C3(C4CCCN4)COC3)cc2o1.
What is the InChIKey of 6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole?
The InChIKey is WFRFBCSOHMXYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-13(15-5-1)14(7-17-8-14)10-3-4-11-12(6-10)18-9-16-11/h3-4,6,9,13,15H,1-2,5,7-8H2.
What are the key properties of 6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole?
6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole has a molecular weight of 244.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 116870823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).