1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol

C13H12FN5O2 — CID 138008313

IUPAC1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
SMILESCn1nncc1C1(O)CN(c2nc3c(F)cccc3o2)C1
InChIInChI=1S/C13H12FN5O2/c1-18-10(5-15-17-18)13(20)6-19(7-13)12-16-11-8(14)3-2-4-9(11)21-12/h2-5,20H,6-7H2,1H3
InChIKeyVXJHCTULXGSBPW-UHFFFAOYSA-N
MW289.27 g/mol
LogP0.80
Rot. Bonds2

About 1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol

1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol (PubChem CID 138008313) has the molecular formula C13H12FN5O2 and a molecular weight of 289.27 g/mol. Its IUPAC name is 1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
PubChem CID138008313
Molecular FormulaC13H12FN5O2
Molecular Weight289.27 g/mol
Exact Mass289.10
IUPAC Name1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
SMILESCn1nncc1C1(O)CN(c2nc3c(F)cccc3o2)C1
InChIInChI=1S/C13H12FN5O2/c1-18-10(5-15-17-18)13(20)6-19(7-13)12-16-11-8(14)3-2-4-9(11)21-12/h2-5,20H,6-7H2,1H3
InChIKeyVXJHCTULXGSBPW-UHFFFAOYSA-N
XLogP0.80
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
CID 167878805
1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
CID 138008387
1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
CID 122047375
[4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol
CID 136537402
(2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122051706
[4-(4-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 146090843
1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
CID 138008308
4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole
CID 138019173
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclopentan-1-ol
CID 114685262
4-fluoro-2-propan-2-yl-1,3-benzoxazole
CID 59589274
(5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone
CID 166263129
N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide
CID 138049018

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
The IUPAC name of 1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol (CID 138008313) is 1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol.
What is the SMILES notation for 1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
The canonical SMILES for 1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol is Cn1nncc1C1(O)CN(c2nc3c(F)cccc3o2)C1.
What is the InChIKey of 1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
The InChIKey is VXJHCTULXGSBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O2/c1-18-10(5-15-17-18)13(20)6-19(7-13)12-16-11-8(14)3-2-4-9(11)21-12/h2-5,20H,6-7H2,1H3.
What are the key properties of 1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol has a molecular weight of 289.27 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol is sourced from PubChem (CID 138008313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).