3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one

C16H10ClN3O3 — CID 53210082

IUPAC3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H10ClN3O3/c17-11-5-3-4-10(8-11)15-18-14(19-23-15)9-20-12-6-1-2-7-13(12)22-16(20)21/h1-8H,9H2
InChIKeyRFNZDQWTXAKWQG-UHFFFAOYSA-N
MW327.73 g/mol
LogP3.35
Rot. Bonds3

About 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one

3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one (PubChem CID 53210082) has the molecular formula C16H10ClN3O3 and a molecular weight of 327.73 g/mol. Its IUPAC name is 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one
PubChem CID53210082
Molecular FormulaC16H10ClN3O3
Molecular Weight327.73 g/mol
Exact Mass327.04
IUPAC Name3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H10ClN3O3/c17-11-5-3-4-10(8-11)15-18-14(19-23-15)9-20-12-6-1-2-7-13(12)22-16(20)21/h1-8H,9H2
InChIKeyRFNZDQWTXAKWQG-UHFFFAOYSA-N
XLogP3.35
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one (CID 53210082) is 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1Cc1noc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is RFNZDQWTXAKWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O3/c17-11-5-3-4-10(8-11)15-18-14(19-23-15)9-20-12-6-1-2-7-13(12)22-16(20)21/h1-8H,9H2.
What are the key properties of 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one?
3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 327.73 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 53210082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).