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

C14H17ClN2O3 — CID 126840898

IUPAC5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol
SMILESCOc1cc(CN(C)Cc2cc(C)on2)c(Cl)cc1O
InChIInChI=1S/C14H17ClN2O3/c1-9-4-11(16-20-9)8-17(2)7-10-5-14(19-3)13(18)6-12(10)15/h4-6,18H,7-8H2,1-3H3
InChIKeyKTUZCNUTXQKUEF-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.98
Rot. Bonds5

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

5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol (PubChem CID 126840898) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol
PubChem CID126840898
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol
SMILESCOc1cc(CN(C)Cc2cc(C)on2)c(Cl)cc1O
InChIInChI=1S/C14H17ClN2O3/c1-9-4-11(16-20-9)8-17(2)7-10-5-14(19-3)13(18)6-12(10)15/h4-6,18H,7-8H2,1-3H3
InChIKeyKTUZCNUTXQKUEF-UHFFFAOYSA-N
XLogP2.98
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol?
The IUPAC name of 5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol (CID 126840898) is 5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol is COc1cc(CN(C)Cc2cc(C)on2)c(Cl)cc1O.
What is the InChIKey of 5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol?
The InChIKey is KTUZCNUTXQKUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-4-11(16-20-9)8-17(2)7-10-5-14(19-3)13(18)6-12(10)15/h4-6,18H,7-8H2,1-3H3.
What are the key properties of 5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol?
5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol has a molecular weight of 296.75 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 126840898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).