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

C10H10ClN3O2 — CID 136932329

IUPAC2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN(C)c1noc(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C10H10ClN3O2/c1-14(2)10-12-9(16-13-10)6-3-4-8(15)7(11)5-6/h3-5,15H,1-2H3
InChIKeyOMMGIOJQJXIASV-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.16
Rot. Bonds2

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

2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136932329) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136932329
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN(C)c1noc(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C10H10ClN3O2/c1-14(2)10-12-9(16-13-10)6-3-4-8(15)7(11)5-6/h3-5,15H,1-2H3
InChIKeyOMMGIOJQJXIASV-UHFFFAOYSA-N
XLogP2.16
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888720
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886124
2-chloro-4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136780931
2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017762
5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one
CID 127614452
2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888710
2-chloro-4-(1,3-oxazol-2-yl)phenol
CID 137195866
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol
CID 136994466
4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
CID 136509876
2-chloro-4-(4-chloro-3-methylphenyl)phenol
CID 53221359
[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656
5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799524

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol (CID 136932329) is 2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol is CN(C)c1noc(-c2ccc(O)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is OMMGIOJQJXIASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-14(2)10-12-9(16-13-10)6-3-4-8(15)7(11)5-6/h3-5,15H,1-2H3.
What are the key properties of 2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol?
2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 239.66 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136932329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).