2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone

C15H15N5O3 — CID 51106626

IUPAC2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1nnc(-c2cc3ccccc3o2)n1)N1CCOCC1
InChIInChI=1S/C15H15N5O3/c21-14(19-5-7-22-8-6-19)10-20-17-15(16-18-20)13-9-11-3-1-2-4-12(11)23-13/h1-4,9H,5-8,10H2
InChIKeyMPESXWCUKITAJG-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.95
Rot. Bonds3

About 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone

2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone (PubChem CID 51106626) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone
PubChem CID51106626
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1nnc(-c2cc3ccccc3o2)n1)N1CCOCC1
InChIInChI=1S/C15H15N5O3/c21-14(19-5-7-22-8-6-19)10-20-17-15(16-18-20)13-9-11-3-1-2-4-12(11)23-13/h1-4,9H,5-8,10H2
InChIKeyMPESXWCUKITAJG-UHFFFAOYSA-N
XLogP0.95
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone (CID 51106626) is 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone is O=C(Cn1nnc(-c2cc3ccccc3o2)n1)N1CCOCC1.
What is the InChIKey of 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is MPESXWCUKITAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c21-14(19-5-7-22-8-6-19)10-20-17-15(16-18-20)13-9-11-3-1-2-4-12(11)23-13/h1-4,9H,5-8,10H2.
What are the key properties of 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone?
2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 313.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 51106626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).