[5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine

C11H10ClFN2O2 — CID 63877646

IUPAC[5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COc2ccc(F)c(Cl)c2)on1
InChIInChI=1S/C11H10ClFN2O2/c12-10-4-8(1-2-11(10)13)16-6-9-3-7(5-14)15-17-9/h1-4H,5-6,14H2
InChIKeyCVBYWOOQWYRYPW-UHFFFAOYSA-N
MW256.66 g/mol
LogP2.50
Rot. Bonds4

About [5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine

[5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 63877646) has the molecular formula C11H10ClFN2O2 and a molecular weight of 256.66 g/mol. Its IUPAC name is [5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID63877646
Molecular FormulaC11H10ClFN2O2
Molecular Weight256.66 g/mol
Exact Mass256.04
IUPAC Name[5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COc2ccc(F)c(Cl)c2)on1
InChIInChI=1S/C11H10ClFN2O2/c12-10-4-8(1-2-11(10)13)16-6-9-3-7(5-14)15-17-9/h1-4H,5-6,14H2
InChIKeyCVBYWOOQWYRYPW-UHFFFAOYSA-N
XLogP2.50
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
[5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62458540
[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62485761
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63647898
3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole
CID 138047646
2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 79040362
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
5-(3-chloro-4-fluorophenoxy)pentan-1-amine
CID 63877786
ethyl 2-amino-3-[5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl]propanoate
CID 170885412
3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine
CID 82089694

Frequently Asked Questions

What is the IUPAC name of [5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine (CID 63877646) is [5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine is NCc1cc(COc2ccc(F)c(Cl)c2)on1.
What is the InChIKey of [5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is CVBYWOOQWYRYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2/c12-10-4-8(1-2-11(10)13)16-6-9-3-7(5-14)15-17-9/h1-4H,5-6,14H2.
What are the key properties of [5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
[5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 256.66 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 63877646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).