4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol

C11H11ClN2O2 — CID 106415014

IUPAC4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNCc1ccno1
InChIInChI=1S/C11H11ClN2O2/c12-9-1-2-11(15)8(5-9)6-13-7-10-3-4-14-16-10/h1-5,13,15H,6-7H2
InChIKeyKMXIEANTNZSNGX-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.32
Rot. Bonds4

About 4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol

4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol (PubChem CID 106415014) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
PubChem CID106415014
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNCc1ccno1
InChIInChI=1S/C11H11ClN2O2/c12-9-1-2-11(15)8(5-9)6-13-7-10-3-4-14-16-10/h1-5,13,15H,6-7H2
InChIKeyKMXIEANTNZSNGX-UHFFFAOYSA-N
XLogP2.32
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415448
1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415684
2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415418
4-fluoro-3-[(1,2-oxazol-5-ylmethylamino)methyl]benzoic acid
CID 106419858
4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol
CID 139241738
4-chloro-2-[(2-hydroxypropylamino)methyl]phenol
CID 43499358
2-[(4-aminobutylamino)methyl]-4-chlorophenol
CID 60894703
4-chloro-2-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]phenol
CID 103701993
4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol
CID 29292740
2-(butylaminomethyl)-4-chlorophenol;hydrochloride
CID 134107366
3-[(5-chloro-2-hydroxyphenyl)methylamino]propanoic acid
CID 43139894

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol (CID 106415014) is 4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol is Oc1ccc(Cl)cc1CNCc1ccno1.
What is the InChIKey of 4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol?
The InChIKey is KMXIEANTNZSNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-9-1-2-11(15)8(5-9)6-13-7-10-3-4-14-16-10/h1-5,13,15H,6-7H2.
What are the key properties of 4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol?
4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol has a molecular weight of 238.67 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol is sourced from PubChem (CID 106415014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).