4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole

C13H13FN6O — CID 138019173

IUPAC4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole
SMILESFc1cccc2oc(N3CCC(c4nn[nH]n4)CC3)nc12
InChIInChI=1S/C13H13FN6O/c14-9-2-1-3-10-11(9)15-13(21-10)20-6-4-8(5-7-20)12-16-18-19-17-12/h1-3,8H,4-7H2,(H,16,17,18,19)
InChIKeySPOPRVALSYUWPM-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.86
Rot. Bonds2

About 4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole

4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole (PubChem CID 138019173) has the molecular formula C13H13FN6O and a molecular weight of 288.29 g/mol. Its IUPAC name is 4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole
PubChem CID138019173
Molecular FormulaC13H13FN6O
Molecular Weight288.29 g/mol
Exact Mass288.11
IUPAC Name4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole
SMILESFc1cccc2oc(N3CCC(c4nn[nH]n4)CC3)nc12
InChIInChI=1S/C13H13FN6O/c14-9-2-1-3-10-11(9)15-13(21-10)20-6-4-8(5-7-20)12-16-18-19-17-12/h1-3,8H,4-7H2,(H,16,17,18,19)
InChIKeySPOPRVALSYUWPM-UHFFFAOYSA-N
XLogP1.86
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole (CID 138019173) is 4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole is Fc1cccc2oc(N3CCC(c4nn[nH]n4)CC3)nc12.
What is the InChIKey of 4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole?
The InChIKey is SPOPRVALSYUWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6O/c14-9-2-1-3-10-11(9)15-13(21-10)20-6-4-8(5-7-20)12-16-18-19-17-12/h1-3,8H,4-7H2,(H,16,17,18,19).
What are the key properties of 4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole?
4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole has a molecular weight of 288.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 138019173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).