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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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).