1,3-benzoxazole;1,3-oxazole;1H-pyrrole

C14H13N3O2 — CID 174604310

IUPAC1,3-benzoxazole;1,3-oxazole;1H-pyrrole
SMILESc1cc[nH]c1.c1ccc2ocnc2c1.c1cocn1
InChIInChI=1S/C7H5NO.C4H5N.C3H3NO/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;1-5H;1-3H
InChIKeyIXKJEXGHOLWVAE-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.52
Rot. Bonds

About 1,3-benzoxazole;1,3-oxazole;1H-pyrrole

1,3-benzoxazole;1,3-oxazole;1H-pyrrole (PubChem CID 174604310) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1,3-benzoxazole;1,3-oxazole;1H-pyrrole.

Molecular Properties

Compound Name1,3-benzoxazole;1,3-oxazole;1H-pyrrole
PubChem CID174604310
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1,3-benzoxazole;1,3-oxazole;1H-pyrrole
SMILESc1cc[nH]c1.c1ccc2ocnc2c1.c1cocn1
InChIInChI=1S/C7H5NO.C4H5N.C3H3NO/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;1-5H;1-3H
InChIKeyIXKJEXGHOLWVAE-UHFFFAOYSA-N
XLogP3.52
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole;1,3-oxazole;1H-pyrrole?
The IUPAC name of 1,3-benzoxazole;1,3-oxazole;1H-pyrrole (CID 174604310) is 1,3-benzoxazole;1,3-oxazole;1H-pyrrole.
What is the SMILES notation for 1,3-benzoxazole;1,3-oxazole;1H-pyrrole?
The canonical SMILES for 1,3-benzoxazole;1,3-oxazole;1H-pyrrole is c1cc[nH]c1.c1ccc2ocnc2c1.c1cocn1.
What is the InChIKey of 1,3-benzoxazole;1,3-oxazole;1H-pyrrole?
The InChIKey is IXKJEXGHOLWVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO.C4H5N.C3H3NO/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;1-5H;1-3H.
What are the key properties of 1,3-benzoxazole;1,3-oxazole;1H-pyrrole?
1,3-benzoxazole;1,3-oxazole;1H-pyrrole has a molecular weight of 255.28 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole;1,3-oxazole;1H-pyrrole is sourced from PubChem (CID 174604310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).