[3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine

C11H11ClN2O2 — CID 117052559

IUPAC[3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCc2ccon2)c(Cl)c1
InChIInChI=1S/C11H11ClN2O2/c12-10-5-8(6-13)1-2-11(10)15-7-9-3-4-16-14-9/h1-5H,6-7,13H2
InChIKeyJUWGUKSADGTJKZ-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.37
Rot. Bonds4

About [3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine

[3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine (PubChem CID 117052559) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is [3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine
PubChem CID117052559
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name[3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCc2ccon2)c(Cl)c1
InChIInChI=1S/C11H11ClN2O2/c12-10-5-8(6-13)1-2-11(10)15-7-9-3-4-16-14-9/h1-5H,6-7,13H2
InChIKeyJUWGUKSADGTJKZ-UHFFFAOYSA-N
XLogP2.37
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
[3-chloro-4-[(3,5-dimethylphenyl)methoxy]phenyl]methanamine
CID 54983856
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[4-(aminomethyl)-2-chlorophenyl] acetate
CID 174881739
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64801737
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 105370190
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
5-[[4-(aminomethyl)-2-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 65338380

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine (CID 117052559) is [3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine is NCc1ccc(OCc2ccon2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine?
The InChIKey is JUWGUKSADGTJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-10-5-8(6-13)1-2-11(10)15-7-9-3-4-16-14-9/h1-5H,6-7,13H2.
What are the key properties of [3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine?
[3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine has a molecular weight of 238.67 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 117052559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).