4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine

C11H10F2N2O2 — CID 43158134

IUPAC4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine
SMILESCc1noc(N)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H10F2N2O2/c1-6-9(10(14)17-15-6)7-2-4-8(5-3-7)16-11(12)13/h2-5,11H,14H2,1H3
InChIKeyQLSDOZZAVGXXHN-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.83
Rot. Bonds3

About 4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine

4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine (PubChem CID 43158134) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine
PubChem CID43158134
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine
SMILESCc1noc(N)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H10F2N2O2/c1-6-9(10(14)17-15-6)7-2-4-8(5-3-7)16-11(12)13/h2-5,11H,14H2,1H3
InChIKeyQLSDOZZAVGXXHN-UHFFFAOYSA-N
XLogP2.83
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 28603394
4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 66200738
4-(4-methoxy-3-methylphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82079241
(1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 97057783
4-(difluoromethoxy)aniline
CID 737363
3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole
CID 19586361
4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82082412
5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
CID 62225201
2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
CID 19436135
3-[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102222
4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine
CID 43336169
3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
CID 112559134

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine (CID 43158134) is 4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine is Cc1noc(N)c1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine?
The InChIKey is QLSDOZZAVGXXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-6-9(10(14)17-15-6)7-2-4-8(5-3-7)16-11(12)13/h2-5,11H,14H2,1H3.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine?
4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine has a molecular weight of 240.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43158134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).