1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol

C11H12N2O2S — CID 63092006

IUPAC1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol
SMILESOC1CN(Cc2cc(-c3cccs3)on2)C1
InChIInChI=1S/C11H12N2O2S/c14-9-6-13(7-9)5-8-4-10(15-12-8)11-2-1-3-16-11/h1-4,9,14H,5-7H2
InChIKeyFTFNRNWIACIFNY-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.58
Rot. Bonds3

About 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol

1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol (PubChem CID 63092006) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol
PubChem CID63092006
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol
SMILESOC1CN(Cc2cc(-c3cccs3)on2)C1
InChIInChI=1S/C11H12N2O2S/c14-9-6-13(7-9)5-8-4-10(15-12-8)11-2-1-3-16-11/h1-4,9,14H,5-7H2
InChIKeyFTFNRNWIACIFNY-UHFFFAOYSA-N
XLogP1.58
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
CID 55029906
(2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 94530936
2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79611090
N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921861
phenyl-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 8597017
[3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 102787710
N-(cyclopropylmethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926344
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8599611
[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol
CID 60684977
8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61235190
3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol
CID 170887655
[5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 115486360

Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol (CID 63092006) is 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol is OC1CN(Cc2cc(-c3cccs3)on2)C1.
What is the InChIKey of 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol?
The InChIKey is FTFNRNWIACIFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-9-6-13(7-9)5-8-4-10(15-12-8)11-2-1-3-16-11/h1-4,9,14H,5-7H2.
What are the key properties of 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol?
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol has a molecular weight of 236.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol is sourced from PubChem (CID 63092006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).