3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole

C10H6ClN3O2 — CID 114771031

IUPAC3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole
SMILESClc1nnc(Cc2noc3ccccc23)o1
InChIInChI=1S/C10H6ClN3O2/c11-10-13-12-9(15-10)5-7-6-3-1-2-4-8(6)16-14-7/h1-4H,5H2
InChIKeyUYBIHGZZABWPJP-UHFFFAOYSA-N
MW235.63 g/mol
LogP2.45
Rot. Bonds2

About 3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole

3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole (PubChem CID 114771031) has the molecular formula C10H6ClN3O2 and a molecular weight of 235.63 g/mol. Its IUPAC name is 3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole
PubChem CID114771031
Molecular FormulaC10H6ClN3O2
Molecular Weight235.63 g/mol
Exact Mass235.01
IUPAC Name3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole
SMILESClc1nnc(Cc2noc3ccccc23)o1
InChIInChI=1S/C10H6ClN3O2/c11-10-13-12-9(15-10)5-7-6-3-1-2-4-8(6)16-14-7/h1-4H,5H2
InChIKeyUYBIHGZZABWPJP-UHFFFAOYSA-N
XLogP2.45
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(bromomethyl)-1,2-benzoxazole
CID 3499189
3-(2-methylpropyl)-1,2-benzoxazole
CID 20826787
3-[5-(1,2-benzoxazol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62668332
3-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-benzoxazole
CID 104637719
3-(methoxymethyl)-1,2-benzoxazole
CID 119083448
3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole
CID 91419468
N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide
CID 54072134
1-[5-(1,2-benzoxazol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635155
3-(2,2-dimethylpropyl)-1,2-benzoxazole;methane
CID 162069739
3-(3-bromopropyl)-1,2-benzoxazole
CID 118498285
2-(1,2-benzoxazol-3-yl)-1-methoxyethanol
CID 152805743
3-[5-(1,2-benzoxazol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-6-butyl-5-(2,6-dimethylphenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106255

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole?
The IUPAC name of 3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole (CID 114771031) is 3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole?
The canonical SMILES for 3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole is Clc1nnc(Cc2noc3ccccc23)o1.
What is the InChIKey of 3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole?
The InChIKey is UYBIHGZZABWPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2/c11-10-13-12-9(15-10)5-7-6-3-1-2-4-8(6)16-14-7/h1-4H,5H2.
What are the key properties of 3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole?
3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole has a molecular weight of 235.63 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole is sourced from PubChem (CID 114771031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).