[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine

C13H15ClN2O2 — CID 112607696

IUPAC[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
SMILESCc1noc(C)c1COc1c(Cl)cccc1CN
InChIInChI=1S/C13H15ClN2O2/c1-8-11(9(2)18-16-8)7-17-13-10(6-15)4-3-5-12(13)14/h3-5H,6-7,15H2,1-2H3
InChIKeyCISCQYVVRPBGQZ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.98
Rot. Bonds4

About [3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine

[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 112607696) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is [3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
PubChem CID112607696
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
SMILESCc1noc(C)c1COc1c(Cl)cccc1CN
InChIInChI=1S/C13H15ClN2O2/c1-8-11(9(2)18-16-8)7-17-13-10(6-15)4-3-5-12(13)14/h3-5H,6-7,15H2,1-2H3
InChIKeyCISCQYVVRPBGQZ-UHFFFAOYSA-N
XLogP2.98
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine with MolForge

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Related Compounds

[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112607605
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine
CID 112614814
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958074
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
[3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 43516207
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 60878120
N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953616
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine
CID 115951898
3,5-dichloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771268

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine (CID 112607696) is [3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine is Cc1noc(C)c1COc1c(Cl)cccc1CN.
What is the InChIKey of [3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is CISCQYVVRPBGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-11(9(2)18-16-8)7-17-13-10(6-15)4-3-5-12(13)14/h3-5H,6-7,15H2,1-2H3.
What are the key properties of [3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine?
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 266.73 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 112607696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).