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

C11H12ClN3O2 — CID 106503397

IUPAC4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCN(C)Cc1noc(-c2cc(O)ccc2Cl)n1
InChIInChI=1S/C11H12ClN3O2/c1-15(2)6-10-13-11(17-14-10)8-5-7(16)3-4-9(8)12/h3-5,16H,6H2,1-2H3
InChIKeyFVJYDYFIXJHACM-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.16
Rot. Bonds3

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

4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 106503397) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID106503397
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCN(C)Cc1noc(-c2cc(O)ccc2Cl)n1
InChIInChI=1S/C11H12ClN3O2/c1-15(2)6-10-13-11(17-14-10)8-5-7(16)3-4-9(8)12/h3-5,16H,6H2,1-2H3
InChIKeyFVJYDYFIXJHACM-UHFFFAOYSA-N
XLogP2.16
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 106503357
3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82831138
5-chloro-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 79077569
4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297
2-amino-6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136712755
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503322
4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
4-chloro-3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503458
4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503410
4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 106503456
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
CID 107209241
4-chloro-3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503466

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol (CID 106503397) is 4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol is CN(C)Cc1noc(-c2cc(O)ccc2Cl)n1.
What is the InChIKey of 4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is FVJYDYFIXJHACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-15(2)6-10-13-11(17-14-10)8-5-7(16)3-4-9(8)12/h3-5,16H,6H2,1-2H3.
What are the key properties of 4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol?
4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 253.69 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 106503397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).