[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine

C12H13ClN2O2 — CID 112607574

IUPAC[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
SMILESCc1cc(COc2c(Cl)cccc2CN)on1
InChIInChI=1S/C12H13ClN2O2/c1-8-5-10(17-15-8)7-16-12-9(6-14)3-2-4-11(12)13/h2-5H,6-7,14H2,1H3
InChIKeyFFTKPGONFGLALI-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.67
Rot. Bonds4

About [3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine

[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 112607574) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is [3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
PubChem CID112607574
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
SMILESCc1cc(COc2c(Cl)cccc2CN)on1
InChIInChI=1S/C12H13ClN2O2/c1-8-5-10(17-15-8)7-16-12-9(6-14)3-2-4-11(12)13/h2-5H,6-7,14H2,1H3
InChIKeyFFTKPGONFGLALI-UHFFFAOYSA-N
XLogP2.67
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 112615109
3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
CID 112611517
[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112607605
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 113277121
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine
CID 112607840
[3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 60879041
1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390263
[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 112608092

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine (CID 112607574) is [3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine is Cc1cc(COc2c(Cl)cccc2CN)on1.
What is the InChIKey of [3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is FFTKPGONFGLALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8-5-10(17-15-8)7-16-12-9(6-14)3-2-4-11(12)13/h2-5H,6-7,14H2,1H3.
What are the key properties of [3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine?
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 252.70 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 112607574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).