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

C10H10ClN3O2 — CID 115924726

IUPAC3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol
SMILESCc1nnc(NCc2c(O)cccc2Cl)o1
InChIInChI=1S/C10H10ClN3O2/c1-6-13-14-10(16-6)12-5-7-8(11)3-2-4-9(7)15/h2-4,15H,5H2,1H3,(H,12,14)
InChIKeyCQZLKMIYLMDXMY-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.35
Rot. Bonds3

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

3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol (PubChem CID 115924726) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol
PubChem CID115924726
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol
SMILESCc1nnc(NCc2c(O)cccc2Cl)o1
InChIInChI=1S/C10H10ClN3O2/c1-6-13-14-10(16-6)12-5-7-8(11)3-2-4-9(7)15/h2-4,15H,5H2,1H3,(H,12,14)
InChIKeyCQZLKMIYLMDXMY-UHFFFAOYSA-N
XLogP2.35
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 114318234
3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol
CID 113276536
3-chloro-2-[(pyrimidin-5-ylamino)methyl]phenol
CID 107588343
3-chloro-2-[(2,3,4,5,6-pentafluoroanilino)methyl]phenol
CID 115564169
3-chloro-2-[(4-propan-2-yloxyanilino)methyl]phenol
CID 79479384
3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol
CID 114318245
3-chloro-2-[(3-iodo-4-methylanilino)methyl]phenol
CID 114318031
5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396
2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 107689655
2-[(4-bromo-2,6-dichloroanilino)methyl]-3-chlorophenol
CID 114317923
3-chloro-2-[(3,3-dimethylbutylamino)methyl]phenol
CID 115625573
3-chloro-2-[(2-iodoanilino)methyl]phenol
CID 113276494

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol (CID 115924726) is 3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol is Cc1nnc(NCc2c(O)cccc2Cl)o1.
What is the InChIKey of 3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol?
The InChIKey is CQZLKMIYLMDXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-6-13-14-10(16-6)12-5-7-8(11)3-2-4-9(7)15/h2-4,15H,5H2,1H3,(H,12,14).
What are the key properties of 3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol?
3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol has a molecular weight of 239.66 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenol is sourced from PubChem (CID 115924726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).